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

C14H17F3N2O2 — CID 95976377

IUPAC6-methyl-2-oxo-N-[(1S,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-UWVGGRQHSA-N
MW302.30 g/mol
LogP2.53
Rot. Bonds2

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

6-methyl-2-oxo-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide (PubChem CID 95976377) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 6-methyl-2-oxo-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
PubChem CID95976377
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name6-methyl-2-oxo-N-[(1S,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-UWVGGRQHSA-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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-2-oxo-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide (CID 95976377) is 6-methyl-2-oxo-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-2-oxo-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-N-[(1S,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-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
The InChIKey is FQAWIFKAFJMSFY-UWVGGRQHSA-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-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
6-methyl-2-oxo-N-[(1S,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-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95976377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).