N-(2,3-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide

C14H20N2O2 — CID 103336820

IUPACN-(2,3-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCC1CCCC(NC(=O)c2c[nH]ccc2=O)C1C
InChIInChI=1S/C14H20N2O2/c1-9-4-3-5-12(10(9)2)16-14(18)11-8-15-7-6-13(11)17/h6-10,12H,3-5H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZQIJNQGLXSMRER-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.93
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide

N-(2,3-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103336820) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103336820
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2,3-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCC1CCCC(NC(=O)c2c[nH]ccc2=O)C1C
InChIInChI=1S/C14H20N2O2/c1-9-4-3-5-12(10(9)2)16-14(18)11-8-15-7-6-13(11)17/h6-10,12H,3-5H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZQIJNQGLXSMRER-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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide (CID 103336820) is N-(2,3-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide is CC1CCCC(NC(=O)c2c[nH]ccc2=O)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZQIJNQGLXSMRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-4-3-5-12(10(9)2)16-14(18)11-8-15-7-6-13(11)17/h6-10,12H,3-5H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(2,3-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide?
N-(2,3-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-(2,3-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103336820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).