2-oxo-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride

C12H15ClF3N3O2 — CID 119511314

IUPAC2-oxo-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)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)17-6-7-2-1-5-16-7;/h3-4,7,16H,1-2,5-6H2,(H,17,19)(H,18,20);1H
InChIKeyIQOCSDSTWGCQSD-UHFFFAOYSA-N
MW325.72 g/mol
LogP1.30
Rot. Bonds3

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

2-oxo-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride (PubChem CID 119511314) has the molecular formula C12H15ClF3N3O2 and a molecular weight of 325.72 g/mol. Its IUPAC name is 2-oxo-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-oxo-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
PubChem CID119511314
Molecular FormulaC12H15ClF3N3O2
Molecular Weight325.72 g/mol
Exact Mass325.08
IUPAC Name2-oxo-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)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)17-6-7-2-1-5-16-7;/h3-4,7,16H,1-2,5-6H2,(H,17,19)(H,18,20);1H
InChIKeyIQOCSDSTWGCQSD-UHFFFAOYSA-N
XLogP1.30
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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

2-oxo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 51090986
6-methyl-2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide
CID 72046979
N-Cyclobutyl-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828237
N-cyclopentyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 24605723
2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 25030822
2-oxo-N-[(2R)-pentan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 34393531
2-oxo-N-[(2S)-pentan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 34393539
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 39888642
2-oxo-N-pentan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 42933283
N-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 47017222
(4R)-4-amino-1-{[2-hydroxy-6-(trifluoromethyl)pyridin-3-yl]carbonyl}-N-methyl-L-prolinamide
CID 56720268
2-hydroxy-6-methyl-N-{2-[(trifluoroacetyl)amino]ethyl}nicotinamide
CID 56721171

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-oxo-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride (CID 119511314) is 2-oxo-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-oxo-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-oxo-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride is Cl.O=C(NCC1CCCN1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride?
The InChIKey is IQOCSDSTWGCQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2.ClH/c13-12(14,15)9-4-3-8(11(20)18-9)10(19)17-6-7-2-1-5-16-7;/h3-4,7,16H,1-2,5-6H2,(H,17,19)(H,18,20);1H.
What are the key properties of 2-oxo-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride?
2-oxo-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride has a molecular weight of 325.72 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119511314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).