N-(3,4-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide

C14H20N2O2 — CID 114039154

IUPACN-(3,4-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2c[nH]ccc2=O)CC1C
InChIInChI=1S/C14H20N2O2/c1-9-3-4-11(7-10(9)2)16-14(18)12-8-15-6-5-13(12)17/h5-6,8-11H,3-4,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyWJGKIYWMBXTRGM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.93
Rot. Bonds2

About N-(3,4-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide

N-(3,4-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 114039154) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID114039154
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(3,4-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2c[nH]ccc2=O)CC1C
InChIInChI=1S/C14H20N2O2/c1-9-3-4-11(7-10(9)2)16-14(18)12-8-15-6-5-13(12)17/h5-6,8-11H,3-4,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyWJGKIYWMBXTRGM-UHFFFAOYSA-N
XLogP1.93
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dimethylcyclohexyl)-4-oxo-1H-pyridine-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

N-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide
CID 103336778
N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide
CID 103336788
N-cyclohexyl-4-oxo-1H-pyridine-3-carboxamide
CID 23633109
4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide
CID 106741440
N-(3,4-dimethylcyclohexyl)-2-oxo-1H-pyridine-4-carboxamide
CID 104578730
N-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide
CID 107031002
N-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 114039106
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 114039160
4-amino-N-(3,4-dimethylcyclohexyl)benzamide
CID 64738901
5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide
CID 64739491
2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide
CID 64741558
N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide
CID 105381302

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide (CID 114039154) is N-(3,4-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide is CC1CCC(NC(=O)c2c[nH]ccc2=O)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WJGKIYWMBXTRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-3-4-11(7-10(9)2)16-14(18)12-8-15-6-5-13(12)17/h5-6,8-11H,3-4,7H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(3,4-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide?
N-(3,4-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114039154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).