6-methyl-4-oxo-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide

C14H17F3N2O2 — CID 103717462

IUPAC6-methyl-4-oxo-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCCCC2C(F)(F)F)c[nH]1
InChIInChI=1S/C14H17F3N2O2/c1-8-6-12(20)9(7-18-8)13(21)19-11-5-3-2-4-10(11)14(15,16)17/h6-7,10-11H,2-5H2,1H3,(H,18,20)(H,19,21)
InChIKeyVRDYMFMIPIHGDC-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.53
Rot. Bonds2

About 6-methyl-4-oxo-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide

6-methyl-4-oxo-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide (PubChem CID 103717462) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
PubChem CID103717462
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name6-methyl-4-oxo-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCCCC2C(F)(F)F)c[nH]1
InChIInChI=1S/C14H17F3N2O2/c1-8-6-12(20)9(7-18-8)13(21)19-11-5-3-2-4-10(11)14(15,16)17/h6-7,10-11H,2-5H2,1H3,(H,18,20)(H,19,21)
InChIKeyVRDYMFMIPIHGDC-UHFFFAOYSA-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-cyclohexyl-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide
CID 49820621
6-methyl-4-oxo-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]-1H-pyridine-3-carboxamide
CID 84585377
6-methyl-N-(4-methylhexan-2-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 102554862
N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-1,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxamide
CID 121512311
butane;N-[4-(diethylamino)-2-(trifluoromethyl)cyclohexyl]formamide;(3E)-5-methyl-2-methylidene-3-pent-4-en-2-ylidene-1H-pyridin-4-one
CID 143778610
6-methyl-4-oxo-N-[[(1S,2S)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]-1H-pyridine-3-carboxamide
CID 95932568
6-methyl-4-oxo-N-[[(1R,2S)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]-1H-pyridine-3-carboxamide
CID 95932569
6-methyl-4-oxo-N-[[(1S,2R)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]-1H-pyridine-3-carboxamide
CID 95932570
6-methyl-4-oxo-N-[[(1R,2R)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]-1H-pyridine-3-carboxamide
CID 95932571
4-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
CID 103337029
2-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
CID 103717437
6-methyl-4-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide
CID 103717461

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide (CID 103717462) is 6-methyl-4-oxo-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NC2CCCCC2C(F)(F)F)c[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
The InChIKey is VRDYMFMIPIHGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-8-6-12(20)9(7-18-8)13(21)19-11-5-3-2-4-10(11)14(15,16)17/h6-7,10-11H,2-5H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 6-methyl-4-oxo-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-[2-(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-4-oxo-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103717462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).