2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide

C16H17ClN2O2 — CID 107701218

IUPAC2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(C)c(O)c2)cc(Cl)n1
InChIInChI=1S/C16H17ClN2O2/c1-3-4-12-7-11(8-15(17)18-12)16(21)19-13-6-5-10(2)14(20)9-13/h5-9,20H,3-4H2,1-2H3,(H,19,21)
InChIKeyIGEJUWNWTIMYJG-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.95
Rot. Bonds4

About 2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide

2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide (PubChem CID 107701218) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide
PubChem CID107701218
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(C)c(O)c2)cc(Cl)n1
InChIInChI=1S/C16H17ClN2O2/c1-3-4-12-7-11(8-15(17)18-12)16(21)19-13-6-5-10(2)14(20)9-13/h5-9,20H,3-4H2,1-2H3,(H,19,21)
InChIKeyIGEJUWNWTIMYJG-UHFFFAOYSA-N
XLogP3.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-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

2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-propylpyridine-4-carboxamide
CID 114387285
2-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-propylpyridine-4-carboxamide
CID 114932118
N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide
CID 26781715
N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
CID 113379664
2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide
CID 114699468
2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide
CID 113450078
2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide
CID 106954276
2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide
CID 113379658
N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 837218
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide
CID 113379751
2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide
CID 62871680

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide (CID 107701218) is 2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)Nc2ccc(C)c(O)c2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide?
The InChIKey is IGEJUWNWTIMYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-3-4-12-7-11(8-15(17)18-12)16(21)19-13-6-5-10(2)14(20)9-13/h5-9,20H,3-4H2,1-2H3,(H,19,21).
What are the key properties of 2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide?
2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 107701218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).