Details of the Drug

General Information of Drug (ID: DMOIWVC)

Drug Name

U-99363E

Synonyms

U 99363; U 99363E; U-99363; N-(1-benzylpiperidin-4-yl)-3-ethoxy-N-methylpyridin-2-amine; 3-Ethoxy-N-methyl-N-(1-(phenylmethyl)-4-piperidinyl)-2-pyridinylamine

Indication

Disease Entry	ICD 11	Status	REF
Schizophrenia	6A20	Preclinical	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

325.4

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C20H27N3O
IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-ethoxy-N-methylpyridin-2-amine
Canonical SMILES: CCOC1=C(N=CC=C1)N(C)C2CCN(CC2)CC3=CC=CC=C3
InChI: InChI=1S/C20H27N3O/c1-3-24-19-10-7-13-21-20(19)22(2)18-11-14-23(15-12-18)16-17-8-5-4-6-9-17/h4-10,13,18H,3,11-12,14-16H2,1-2H3
InChIKey: VNSBZWKWQFCKGO-UHFFFAOYSA-N