5-[4-(hydroxymethyl)cyclohexyl]-2-methylpyridine-3-carboxamide

C14H20N2O2 — CID 174662247

IUPAC5-[4-(hydroxymethyl)cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(C2CCC(CO)CC2)cc1C(N)=O
InChIInChI=1S/C14H20N2O2/c1-9-13(14(15)18)6-12(7-16-9)11-4-2-10(8-17)3-5-11/h6-7,10-11,17H,2-5,8H2,1H3,(H2,15,18)
InChIKeyHBXDHZAQZMCXRM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.76
Rot. Bonds3

About 5-[4-(hydroxymethyl)cyclohexyl]-2-methylpyridine-3-carboxamide

5-[4-(hydroxymethyl)cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 174662247) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)cyclohexyl]-2-methylpyridine-3-carboxamide
PubChem CID174662247
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-[4-(hydroxymethyl)cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(C2CCC(CO)CC2)cc1C(N)=O
InChIInChI=1S/C14H20N2O2/c1-9-13(14(15)18)6-12(7-16-9)11-4-2-10(8-17)3-5-11/h6-7,10-11,17H,2-5,8H2,1H3,(H2,15,18)
InChIKeyHBXDHZAQZMCXRM-UHFFFAOYSA-N
XLogP1.76
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[4-(hydroxymethyl)cyclohexyl]-2-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

Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)cyclohexyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-[4-(hydroxymethyl)cyclohexyl]-2-methylpyridine-3-carboxamide (CID 174662247) is 5-[4-(hydroxymethyl)cyclohexyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(hydroxymethyl)cyclohexyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[4-(hydroxymethyl)cyclohexyl]-2-methylpyridine-3-carboxamide is Cc1ncc(C2CCC(CO)CC2)cc1C(N)=O.
What is the InChIKey of 5-[4-(hydroxymethyl)cyclohexyl]-2-methylpyridine-3-carboxamide?
The InChIKey is HBXDHZAQZMCXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-13(14(15)18)6-12(7-16-9)11-4-2-10(8-17)3-5-11/h6-7,10-11,17H,2-5,8H2,1H3,(H2,15,18).
What are the key properties of 5-[4-(hydroxymethyl)cyclohexyl]-2-methylpyridine-3-carboxamide?
5-[4-(hydroxymethyl)cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 174662247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).