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

C14H20N2O2 — CID 104578730

IUPACN-(3,4-dimethylcyclohexyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCC1CCC(NC(=O)c2cc[nH]c(=O)c2)CC1C
InChIInChI=1S/C14H20N2O2/c1-9-3-4-12(7-10(9)2)16-14(18)11-5-6-15-13(17)8-11/h5-6,8-10,12H,3-4,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyAAIVBUXIYLNPLM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.93
Rot. Bonds2

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

N-(3,4-dimethylcyclohexyl)-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 104578730) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-2-oxo-1H-pyridine-4-carboxamide
PubChem CID104578730
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(3,4-dimethylcyclohexyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCC1CCC(NC(=O)c2cc[nH]c(=O)c2)CC1C
InChIInChI=1S/C14H20N2O2/c1-9-3-4-12(7-10(9)2)16-14(18)11-5-6-15-13(17)8-11/h5-6,8-10,12H,3-4,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyAAIVBUXIYLNPLM-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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Related Compounds

3-[(3,4-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 64742565
N-(3,4-dimethylcyclohexyl)-3-iodobenzamide
CID 64743317
4-amino-N-(3,4-dimethylcyclohexyl)benzamide
CID 64738901
N-(3,4-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide
CID 114039154
N-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide
CID 64743154
4-amino-N-(3,4-dimethylcyclohexyl)-3,5-difluorobenzamide
CID 64741481
4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide
CID 64740085
N-(1-ethylpiperidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765277
N-[2-(3-methylcyclohexyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103765554
(1R,2R,4S,5S)-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]bicyclo[3.1.0]hexane-2-carboxylic acid
CID 138055381
N-(1-butylpiperidin-4-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763066
N-(1-methyl-2-oxopyrrolidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257175

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-2-oxo-1H-pyridine-4-carboxamide (CID 104578730) is N-(3,4-dimethylcyclohexyl)-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-2-oxo-1H-pyridine-4-carboxamide is CC1CCC(NC(=O)c2cc[nH]c(=O)c2)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is AAIVBUXIYLNPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-3-4-12(7-10(9)2)16-14(18)11-5-6-15-13(17)8-11/h5-6,8-10,12H,3-4,7H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(3,4-dimethylcyclohexyl)-2-oxo-1H-pyridine-4-carboxamide?
N-(3,4-dimethylcyclohexyl)-2-oxo-1H-pyridine-4-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)-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 104578730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).