| Drug Name |
Pyridine-amide derivative 1
|
| Synonyms |
PMID25470667-Compound-Figure5-4 |
| Drug Type |
Small molecular drug
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| Structure |
|
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|
3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
420.4 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.3 |
| Rotatable Bond Count (rotbonds) |
7 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
9 |
| Chemical Identifiers |
- Formula
- C20H19F3N4O3
- IUPAC Name
N-[6-[2-methoxyethyl(methyl)amino]pyridin-3-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide - Canonical SMILES
-
CN(CCOC)C1=NC=C(C=C1)NC(=O)C2=C(OC(=N2)C3=CC=CC=C3)C(F)(F)F
- InChI
-
InChI=1S/C20H19F3N4O3/c1-27(10-11-29-2)15-9-8-14(12-24-15)25-18(28)16-17(20(21,22)23)30-19(26-16)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,25,28)
- InChIKey
-
QEZWDFXCTTZZRI-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 16757107
- TTD ID
- D0UY7A
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