N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide

C14H20N2O2 — CID 164630158

IUPACN-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC1(C)CCC[C@H](NC(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C14H20N2O2/c1-14(2)7-3-5-10(9-14)16-13(18)11-6-4-8-15-12(11)17/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,15,17)(H,16,18)/t10-/m0/s1
InChIKeyLRTUNZSQSSTHHH-JTQLQIEISA-N
MW248.33 g/mol
LogP2.07
Rot. Bonds2

About N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide

N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 164630158) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID164630158
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC1(C)CCC[C@H](NC(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C14H20N2O2/c1-14(2)7-3-5-10(9-14)16-13(18)11-6-4-8-15-12(11)17/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,15,17)(H,16,18)/t10-/m0/s1
InChIKeyLRTUNZSQSSTHHH-JTQLQIEISA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-azaspiro[3.5]nonan-8-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 43595235
2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide
CID 115540906
N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558842
2-oxo-N-(6-oxopiperidin-3-yl)-1H-pyridine-3-carboxamide
CID 60616083
methyl 4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617262
N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 115299187
N-(2-hydroxycyclohexyl)-2-oxo-1H-pyridine-3-carboxamide
CID 62365088
5-bromo-N-(3,3-dimethylcyclohexyl)-2-hydroxybenzamide
CID 107729810
2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide
CID 47441631
2-tert-butyl-N-(3,3-dimethylcyclopentyl)benzamide
CID 114550285
N-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide
CID 113345445
N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 43600703

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide (CID 164630158) is N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide is CC1(C)CCC[C@H](NC(=O)c2ccc[nH]c2=O)C1.
What is the InChIKey of N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LRTUNZSQSSTHHH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2)7-3-5-10(9-14)16-13(18)11-6-4-8-15-12(11)17/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,15,17)(H,16,18)/t10-/m0/s1.
What are the key properties of N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 164630158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).