2-cyclopropyl-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide

C16H12F4N2O2 — CID 126832678

IUPAC2-cyclopropyl-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)c(F)c1)c1cc(C2CC2)[nH]c(=O)c1
InChIInChI=1S/C16H12F4N2O2/c17-12-7-10(3-4-11(12)16(18,19)20)21-15(24)9-5-13(8-1-2-8)22-14(23)6-9/h3-8H,1-2H2,(H,21,24)(H,22,23)
InChIKeyVTZZFPIWLDJFIA-UHFFFAOYSA-N
MW340.28 g/mol
LogP3.66
Rot. Bonds3

About 2-cyclopropyl-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide

2-cyclopropyl-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 126832678) has the molecular formula C16H12F4N2O2 and a molecular weight of 340.28 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide
PubChem CID126832678
Molecular FormulaC16H12F4N2O2
Molecular Weight340.28 g/mol
Exact Mass340.08
IUPAC Name2-cyclopropyl-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)c(F)c1)c1cc(C2CC2)[nH]c(=O)c1
InChIInChI=1S/C16H12F4N2O2/c17-12-7-10(3-4-11(12)16(18,19)20)21-15(24)9-5-13(8-1-2-8)22-14(23)6-9/h3-8H,1-2H2,(H,21,24)(H,22,23)
InChIKeyVTZZFPIWLDJFIA-UHFFFAOYSA-N
XLogP3.66
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-piperidin-4-ylurea
CID 118409077
2-cyclopropyl-N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide
CID 127904280
2-methyl-6-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxamide
CID 110698736
2-cyclopropyl-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-6-oxo-1H-pyridine-4-carboxamide
CID 127905011
3-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-4-(trifluoromethyl)benzamide
CID 137066485
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
CID 2084506
N-[3-fluoro-4-(trifluoromethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 126832675
2-cyclopropyl-N-[2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982838
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
2-cyclopropyl-N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982737
N-[4-(ethoxymethyl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide
CID 166220547

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide (CID 126832678) is 2-cyclopropyl-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)c(F)c1)c1cc(C2CC2)[nH]c(=O)c1.
What is the InChIKey of 2-cyclopropyl-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is VTZZFPIWLDJFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O2/c17-12-7-10(3-4-11(12)16(18,19)20)21-15(24)9-5-13(8-1-2-8)22-14(23)6-9/h3-8H,1-2H2,(H,21,24)(H,22,23).
What are the key properties of 2-cyclopropyl-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide?
2-cyclopropyl-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 340.28 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 126832678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).