N-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C14H17F3N2O2 — CID 47017222

IUPACN-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-8-7-10(13(21)19-11)12(20)18-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,18,20)(H,19,21)
InChIKeyWWXLWEIAPUVUED-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.85
Rot. Bonds2

About N-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 47017222) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID47017222
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-8-7-10(13(21)19-11)12(20)18-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,18,20)(H,19,21)
InChIKeyWWXLWEIAPUVUED-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 60708032
2-oxo-N-piperidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 119425759
N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464359
N-[(1R)-1-cyclopropylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 33044492
N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464353
N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 95769416
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 30133677
N-cyclohexyl-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497312
N-[(4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464489
N-(1,3-dihydroxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65310475
2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 171367592
N-cyclohexyl-2-oxo-1H-quinoline-3-carboxamide
CID 11011060

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 47017222) is N-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC1CCCCCC1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is WWXLWEIAPUVUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)11-8-7-10(13(21)19-11)12(20)18-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,18,20)(H,19,21).
What are the key properties of N-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47017222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).