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

C17H16F3N3O2 — CID 166250068

IUPAC2-oxo-N-[(1-pyridin-2-ylcyclobutyl)methyl]-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC1(c2ccccn2)CCC1)c1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)11-8-12(14(24)22-9-11)15(25)23-10-16(5-3-6-16)13-4-1-2-7-21-13/h1-2,4,7-9H,3,5-6,10H2,(H,22,24)(H,23,25)
InChIKeyWDPLMFFEPVPVEU-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.64
Rot. Bonds4

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

2-oxo-N-[(1-pyridin-2-ylcyclobutyl)methyl]-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 166250068) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 2-oxo-N-[(1-pyridin-2-ylcyclobutyl)methyl]-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(1-pyridin-2-ylcyclobutyl)methyl]-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID166250068
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name2-oxo-N-[(1-pyridin-2-ylcyclobutyl)methyl]-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC1(c2ccccn2)CCC1)c1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)11-8-12(14(24)22-9-11)15(25)23-10-16(5-3-6-16)13-4-1-2-7-21-13/h1-2,4,7-9H,3,5-6,10H2,(H,22,24)(H,23,25)
InChIKeyWDPLMFFEPVPVEU-UHFFFAOYSA-N
XLogP2.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-pyridin-2-ylcyclopropyl)methyl]-2,3-dihydro-1H-indene-4-carboxamide
CID 126807843
1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea
CID 110478720
3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide
CID 110477352
1-(2-methyltetrazol-5-yl)-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea
CID 138054517
N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 44565261
2-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155953730
4,4-difluoro-2-(hydroxymethyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]pyrrolidine-1-carboxamide
CID 154741750
2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride
CID 171547710
N-(5-ethyl-1,3-thiazol-2-yl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 136558359
2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
CID 110483352
2-chloro-N-[(2S)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]benzamide
CID 10208631
tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride
CID 154702927

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(1-pyridin-2-ylcyclobutyl)methyl]-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[(1-pyridin-2-ylcyclobutyl)methyl]-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 166250068) is 2-oxo-N-[(1-pyridin-2-ylcyclobutyl)methyl]-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(1-pyridin-2-ylcyclobutyl)methyl]-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(1-pyridin-2-ylcyclobutyl)methyl]-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NCC1(c2ccccn2)CCC1)c1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 2-oxo-N-[(1-pyridin-2-ylcyclobutyl)methyl]-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is WDPLMFFEPVPVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c18-17(19,20)11-8-12(14(24)22-9-11)15(25)23-10-16(5-3-6-16)13-4-1-2-7-21-13/h1-2,4,7-9H,3,5-6,10H2,(H,22,24)(H,23,25).
What are the key properties of 2-oxo-N-[(1-pyridin-2-ylcyclobutyl)methyl]-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-[(1-pyridin-2-ylcyclobutyl)methyl]-5-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 351.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(1-pyridin-2-ylcyclobutyl)methyl]-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166250068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).