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

C12H14F3N3O2 — CID 72046368

IUPACN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide
SMILESC1CC(CNC1)C(=O)NC2=CC(=CNC2=O)C(F)(F)F
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)8-4-9(11(20)17-6-8)18-10(19)7-2-1-3-16-5-7/h4,6-7,16H,1-3,5H2,(H,17,20)(H,18,19)
InChIKeyYCMACBCUBBRCKK-UHFFFAOYSA-N
MW289.25 g/mol
LogP0.10
Rot. Bonds2

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

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide (PubChem CID 72046368) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.25 g/mol. Its IUPAC name is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide
PubChem CID72046368
Molecular FormulaC12H14F3N3O2
Molecular Weight289.25 g/mol
Exact Mass289.10
IUPAC NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide
SMILESC1CC(CNC1)C(=O)NC2=CC(=CNC2=O)C(F)(F)F
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)8-4-9(11(20)17-6-8)18-10(19)7-2-1-3-16-5-7/h4,6-7,16H,1-3,5H2,(H,17,20)(H,18,19)
InChIKeyYCMACBCUBBRCKK-UHFFFAOYSA-N
XLogP0.10
TPSA70.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity483

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 53506463
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide
CID 72046367
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72046372
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide
CID 72050188
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide;hydrochloride
CID 72046366
1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72050206
2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 95328319
(2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide
CID 137994880
4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide
CID 138578414
3,5-dioxo-N-(2,2,2-trifluoroethyl)-2,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxamide
CID 157275207
5-(trifluoromethyl)piperidin-2-one;5-(trifluoromethyl)-1H-pyridin-2-one
CID 161729260
3-amino-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one
CID 164734894

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide (CID 72046368) is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide is C1CC(CNC1)C(=O)NC2=CC(=CNC2=O)C(F)(F)F.
What is the InChIKey of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide?
The InChIKey is YCMACBCUBBRCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)8-4-9(11(20)17-6-8)18-10(19)7-2-1-3-16-5-7/h4,6-7,16H,1-3,5H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide?
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide has a molecular weight of 289.25 g/mol, XLogP of 0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 72046368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).