3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclohexane-1-carboxamide

C14H17F3N2O2 — CID 75512208

IUPAC3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1
InChIInChI=1S/C14H17F3N2O2/c1-8-3-2-4-9(5-8)12(20)19-11-6-10(14(15,16)17)7-18-13(11)21/h6-9H,2-5H2,1H3,(H,18,21)(H,19,20)
InChIKeyXBIZNGIWPLJBCG-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.16
Rot. Bonds2

About 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclohexane-1-carboxamide

3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclohexane-1-carboxamide (PubChem CID 75512208) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclohexane-1-carboxamide
PubChem CID75512208
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1
InChIInChI=1S/C14H17F3N2O2/c1-8-3-2-4-9(5-8)12(20)19-11-6-10(14(15,16)17)7-18-13(11)21/h6-9H,2-5H2,1H3,(H,18,21)(H,19,20)
InChIKeyXBIZNGIWPLJBCG-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropanecarboxamide
CID 47137245
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide
CID 119399153
2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 95328319
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxane-2-carboxamide
CID 155950777
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119112164
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55794730
3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3,4-dihydropyridine-4-carboxamide
CID 129171439
cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide
CID 95977222
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55794757
2-(3-bromophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide
CID 49161237
trans-(1R,2R)-2-(furan-2-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide
CID 95977225
2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 119399137

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclohexane-1-carboxamide (CID 75512208) is 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclohexane-1-carboxamide is CC1CCCC(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1.
What is the InChIKey of 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclohexane-1-carboxamide?
The InChIKey is XBIZNGIWPLJBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-8-3-2-4-9(5-8)12(20)19-11-6-10(14(15,16)17)7-18-13(11)21/h6-9H,2-5H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclohexane-1-carboxamide?
3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 75512208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).