2-(3-chloro-4-cyanophenyl)-N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide

C20H20ClN3O2 — CID 162379682

IUPAC2-(3-chloro-4-cyanophenyl)-N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide
SMILESN#Cc1ccc(CC(=O)N(C[C@@H](O)c2cccnc2)C2CCC2)cc1Cl
InChIInChI=1S/C20H20ClN3O2/c21-18-9-14(6-7-15(18)11-22)10-20(26)24(17-4-1-5-17)13-19(25)16-3-2-8-23-12-16/h2-3,6-9,12,17,19,25H,1,4-5,10,13H2/t19-/m1/s1
InChIKeyCTNSCLUSYIDPTA-LJQANCHMSA-N
MW369.85 g/mol
LogP3.26
Rot. Bonds6

About 2-(3-chloro-4-cyanophenyl)-N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide

2-(3-chloro-4-cyanophenyl)-N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide (PubChem CID 162379682) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-(3-chloro-4-cyanophenyl)-N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-cyanophenyl)-N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide
PubChem CID162379682
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name2-(3-chloro-4-cyanophenyl)-N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide
SMILESN#Cc1ccc(CC(=O)N(C[C@@H](O)c2cccnc2)C2CCC2)cc1Cl
InChIInChI=1S/C20H20ClN3O2/c21-18-9-14(6-7-15(18)11-22)10-20(26)24(17-4-1-5-17)13-19(25)16-3-2-8-23-12-16/h2-3,6-9,12,17,19,25H,1,4-5,10,13H2/t19-/m1/s1
InChIKeyCTNSCLUSYIDPTA-LJQANCHMSA-N
XLogP3.26
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-cyanophenyl)-N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-cyanophenyl)-N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide?
The IUPAC name of 2-(3-chloro-4-cyanophenyl)-N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide (CID 162379682) is 2-(3-chloro-4-cyanophenyl)-N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-cyanophenyl)-N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-cyanophenyl)-N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide is N#Cc1ccc(CC(=O)N(C[C@@H](O)c2cccnc2)C2CCC2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-cyanophenyl)-N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide?
The InChIKey is CTNSCLUSYIDPTA-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-18-9-14(6-7-15(18)11-22)10-20(26)24(17-4-1-5-17)13-19(25)16-3-2-8-23-12-16/h2-3,6-9,12,17,19,25H,1,4-5,10,13H2/t19-/m1/s1.
What are the key properties of 2-(3-chloro-4-cyanophenyl)-N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide?
2-(3-chloro-4-cyanophenyl)-N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide has a molecular weight of 369.85 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-cyanophenyl)-N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide is sourced from PubChem (CID 162379682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).