| Drug Name |
N-{4
|
| Synonyms |
LGB321; CHEMBL3105022; 1210417-75-6; N-{4-[(3r,4r,5s)-3-Amino-4-Hydroxy-5-Methylpiperidin-1-Yl]pyridin-3-Yl}-6-(2,6-Difluorophenyl)-5-Fluoropyridine-2-Carboxamide; N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide; NVP-LGB321; GTPL9367; SCHEMBL1711617; BDBM106896; EX-A1572; AMX10208; SB19299; n-(4-((3r,4r,5s)-3-amino-4-hydroxy-5-methylpiperidin-1-yl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide; US8592455, 96; LGB321 1210415-88-5; N-{4
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| Drug Type |
Small molecular drug
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| Structure |
|
 |
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3D MOL
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2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
457.4 |
|
| Logarithm of the Partition Coefficient (xlogp) |
2.1 |
| Rotatable Bond Count (rotbonds) |
4 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
9 |
| Chemical Identifiers |
- Formula
- C23H22F3N5O2
- IUPAC Name
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide - Canonical SMILES
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C[C@H]1CN(C[C@H]([C@@H]1O)N)C2=C(C=NC=C2)NC(=O)C3=NC(=C(C=C3)F)C4=C(C=CC=C4F)F
- InChI
-
InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1
- InChIKey
-
ODZZYKUYGVLOTQ-ONJZCGHCSA-N
|
| Cross-matching ID |
- PubChem CID
- 46179018
- TTD ID
- D0J6HN
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