3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide

C14H13ClN2O2 — CID 66482775

IUPAC3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1ccncc1Cl
InChIInChI=1S/C14H13ClN2O2/c15-12-8-16-7-6-11(12)14(19)17-9-13(18)10-4-2-1-3-5-10/h1-8,13,18H,9H2,(H,17,19)
InChIKeyYIYBAQXVIFFCDQ-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.20
Rot. Bonds4

About 3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide

3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide (PubChem CID 66482775) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
PubChem CID66482775
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1ccncc1Cl
InChIInChI=1S/C14H13ClN2O2/c15-12-8-16-7-6-11(12)14(19)17-9-13(18)10-4-2-1-3-5-10/h1-8,13,18H,9H2,(H,17,19)
InChIKeyYIYBAQXVIFFCDQ-UHFFFAOYSA-N
XLogP2.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103715894
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide
CID 125168048
3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 71968994
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate
CID 113358681
3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
CID 66464589
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 103714844
2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol
CID 79839104
3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115759484
3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide
CID 107097712
3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81066288
3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 115667770

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide (CID 66482775) is 3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide is O=C(NCC(O)c1ccccc1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide?
The InChIKey is YIYBAQXVIFFCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-12-8-16-7-6-11(12)14(19)17-9-13(18)10-4-2-1-3-5-10/h1-8,13,18H,9H2,(H,17,19).
What are the key properties of 3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide?
3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 66482775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).