2-chloro-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4,6-dimethylpyridine-3-carboxamide

C16H23ClN2O2 — CID 110027798

IUPAC2-chloro-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC2(C)CCCCC2O)c(Cl)n1
InChIInChI=1S/C16H23ClN2O2/c1-10-8-11(2)19-14(17)13(10)15(21)18-9-16(3)7-5-4-6-12(16)20/h8,12,20H,4-7,9H2,1-3H3,(H,18,21)
InChIKeyBWNKNMQJUVBQOY-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.02
Rot. Bonds3

About 2-chloro-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4,6-dimethylpyridine-3-carboxamide

2-chloro-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4,6-dimethylpyridine-3-carboxamide (PubChem CID 110027798) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-chloro-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4,6-dimethylpyridine-3-carboxamide
PubChem CID110027798
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-chloro-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC2(C)CCCCC2O)c(Cl)n1
InChIInChI=1S/C16H23ClN2O2/c1-10-8-11(2)19-14(17)13(10)15(21)18-9-16(3)7-5-4-6-12(16)20/h8,12,20H,4-7,9H2,1-3H3,(H,18,21)
InChIKeyBWNKNMQJUVBQOY-UHFFFAOYSA-N
XLogP3.02
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.02
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-[(2-hydroxy-1-methylcyclohexyl)methyl]-4,6-dimethylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4,6-dimethylpyridine-3-carboxamide (CID 110027798) is 2-chloro-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(=O)NCC2(C)CCCCC2O)c(Cl)n1.
What is the InChIKey of 2-chloro-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is BWNKNMQJUVBQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-10-8-11(2)19-14(17)13(10)15(21)18-9-16(3)7-5-4-6-12(16)20/h8,12,20H,4-7,9H2,1-3H3,(H,18,21).
What are the key properties of 2-chloro-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4,6-dimethylpyridine-3-carboxamide?
2-chloro-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 310.82 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 110027798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).