6-methyl-2-oxo-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide

C14H17F3N2O2 — CID 95976376

IUPAC6-methyl-2-oxo-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C14H17F3N2O2/c1-8-5-6-11(12(20)18-8)13(21)19-10-4-2-3-9(7-10)14(15,16)17/h5-6,9-10H,2-4,7H2,1H3,(H,18,20)(H,19,21)/t9-,10+/m0/s1
InChIKeyFQAWIFKAFJMSFY-VHSXEESVSA-N
MW302.30 g/mol
LogP2.53
Rot. Bonds2

About 6-methyl-2-oxo-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide

6-methyl-2-oxo-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide (PubChem CID 95976376) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 6-methyl-2-oxo-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
PubChem CID95976376
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name6-methyl-2-oxo-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C14H17F3N2O2/c1-8-5-6-11(12(20)18-8)13(21)19-10-4-2-3-9(7-10)14(15,16)17/h5-6,9-10H,2-4,7H2,1H3,(H,18,20)(H,19,21)/t9-,10+/m0/s1
InChIKeyFQAWIFKAFJMSFY-VHSXEESVSA-N
XLogP2.53
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylcyclohexyl)-2-oxo-1-propylpyridine-3-carboxamide
CID 76314156
1-butyl-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide
CID 76332282
(1S,11R)-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201191
N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
CID 164630158
(2E)-2-[(E)-2-amino-2-fluoroethenyl]-N-[(1R,3S)-3-methylcyclohexyl]penta-2,4-dienamide
CID 88272087
1-(4-fluoro-1-methylcyclohexyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 134375286
N-(4-methylcyclohexyl)-2-hydroxypyridine-3-carboxamide
CID 25662858
1-[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 17444493
2-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
CID 18147826
N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 24608409
2-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
CID 33261661
N-[(1S,2S)-2-tert-butylcyclohexyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 40028452

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-2-oxo-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide (CID 95976376) is 6-methyl-2-oxo-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-2-oxo-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(=O)[nH]1.
What is the InChIKey of 6-methyl-2-oxo-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
The InChIKey is FQAWIFKAFJMSFY-VHSXEESVSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-8-5-6-11(12(20)18-8)13(21)19-10-4-2-3-9(7-10)14(15,16)17/h5-6,9-10H,2-4,7H2,1H3,(H,18,20)(H,19,21)/t9-,10+/m0/s1.
What are the key properties of 6-methyl-2-oxo-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
6-methyl-2-oxo-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95976376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).