4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide

C14H13ClN2O2 — CID 114331675

IUPAC4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCc2ccccc2O)cn1
InChIInChI=1S/C14H13ClN2O2/c1-9-6-12(15)11(8-16-9)14(19)17-7-10-4-2-3-5-13(10)18/h2-6,8,18H,7H2,1H3,(H,17,19)
InChIKeyLIOHPYNRGDIERR-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.68
Rot. Bonds3

About 4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide

4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide (PubChem CID 114331675) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide
PubChem CID114331675
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCc2ccccc2O)cn1
InChIInChI=1S/C14H13ClN2O2/c1-9-6-12(15)11(8-16-9)14(19)17-7-10-4-2-3-5-13(10)18/h2-6,8,18H,7H2,1H3,(H,17,19)
InChIKeyLIOHPYNRGDIERR-UHFFFAOYSA-N
XLogP2.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-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

4-chloro-N-[(2,5-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81227233
4-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 107230340
4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 81228566
3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 115667770
4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide
CID 81226564
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81228237
4-chloro-N-[2-[(dimethylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide
CID 81227997
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81225265
4-chloro-N-[2-(ethoxymethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 81227998
4-chloro-N-decyl-6-methylpyridine-3-carboxamide
CID 81227523
N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81226130

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide (CID 114331675) is 4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NCc2ccccc2O)cn1.
What is the InChIKey of 4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is LIOHPYNRGDIERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9-6-12(15)11(8-16-9)14(19)17-7-10-4-2-3-5-13(10)18/h2-6,8,18H,7H2,1H3,(H,17,19).
What are the key properties of 4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide?
4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 114331675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).