2-oxo-N-piperidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride

C12H15ClF3N3O2 — CID 119425759

IUPAC2-oxo-N-piperidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H14F3N3O2.ClH/c13-12(14,15)9-4-3-8(11(20)18-9)10(19)17-7-2-1-5-16-6-7;/h3-4,7,16H,1-2,5-6H2,(H,17,19)(H,18,20);1H
InChIKeyUNMIXPGKYUTISE-UHFFFAOYSA-N
MW325.72 g/mol
LogP1.30
Rot. Bonds2

About 2-oxo-N-piperidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride

2-oxo-N-piperidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride (PubChem CID 119425759) has the molecular formula C12H15ClF3N3O2 and a molecular weight of 325.72 g/mol. Its IUPAC name is 2-oxo-N-piperidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-oxo-N-piperidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
PubChem CID119425759
Molecular FormulaC12H15ClF3N3O2
Molecular Weight325.72 g/mol
Exact Mass325.08
IUPAC Name2-oxo-N-piperidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H14F3N3O2.ClH/c13-12(14,15)9-4-3-8(11(20)18-9)10(19)17-7-2-1-5-16-6-7;/h3-4,7,16H,1-2,5-6H2,(H,17,19)(H,18,20);1H
InChIKeyUNMIXPGKYUTISE-UHFFFAOYSA-N
XLogP1.30
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 60708032
N-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 47017222
2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide
CID 104645323
2-nitro-N-piperidin-3-yl-4-(trifluoromethyl)benzamide;hydrochloride
CID 119428141
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
2,3-dihydroxy-N-piperidin-3-ylbenzamide
CID 114343480
4-fluoro-2-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 113436694
2-(4-methylphenyl)-6-oxo-N-[(3S)-piperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 72898424
1-methyl-2-oxo-N-piperidin-3-ylpyridine-3-carboxamide;hydrochloride
CID 119424588
N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464359
N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119428934
7-fluoro-2-oxo-N-piperidin-3-yl-1H-quinoline-4-carboxamide;hydrochloride
CID 119425856

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-piperidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-oxo-N-piperidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride (CID 119425759) is 2-oxo-N-piperidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-oxo-N-piperidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-oxo-N-piperidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride is Cl.O=C(NC1CCCNC1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-piperidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride?
The InChIKey is UNMIXPGKYUTISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2.ClH/c13-12(14,15)9-4-3-8(11(20)18-9)10(19)17-7-2-1-5-16-6-7;/h3-4,7,16H,1-2,5-6H2,(H,17,19)(H,18,20);1H.
What are the key properties of 2-oxo-N-piperidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride?
2-oxo-N-piperidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride has a molecular weight of 325.72 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-piperidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119425759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).