N-[[4-(cyclopenten-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C25H21F3N2O2 — CID 155464845

IUPACN-[[4-(cyclopenten-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(C2=CCCC2)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C25H21F3N2O2/c26-25(27,28)21-15-14-20(23(31)29-21)24(32)30-22(18-8-2-1-3-9-18)19-12-10-17(11-13-19)16-6-4-5-7-16/h1-3,6,8-15,22H,4-5,7H2,(H,29,31)(H,30,32)
InChIKeyJDDBCIUZFQPZSA-UHFFFAOYSA-N
MW438.45 g/mol
LogP5.48
Rot. Bonds5

About N-[[4-(cyclopenten-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[[4-(cyclopenten-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464845) has the molecular formula C25H21F3N2O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is N-[[4-(cyclopenten-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopenten-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464845
Molecular FormulaC25H21F3N2O2
Molecular Weight438.45 g/mol
Exact Mass438.16
IUPAC NameN-[[4-(cyclopenten-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(C2=CCCC2)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C25H21F3N2O2/c26-25(27,28)21-15-14-20(23(31)29-21)24(32)30-22(18-8-2-1-3-9-18)19-12-10-17(11-13-19)16-6-4-5-7-16/h1-3,6,8-15,22H,4-5,7H2,(H,29,31)(H,30,32)
InChIKeyJDDBCIUZFQPZSA-UHFFFAOYSA-N
XLogP5.48
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.45
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-4-(1-phenylethyl)benzamide
CID 89581602
N,1-dibenzyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 571691
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-5-phenylpyridine-3-carboxamide
CID 162664878
N-methyl-4-[2-[methyl-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 70693582
(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 15983688
N-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide
CID 23588031
N-benzyl-1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 59718847
N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-2-oxo-1-(1-phenylethyl)-1,2-dihydropyridine-4-carboxamide
CID 71571201
N-methyl-2-oxo-1-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide
CID 1478472
N-methyl-2-oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide
CID 3716222
1-(3,5-Bis(trifluoromethyl)benzyl)-N-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 3829837
1-benzyl-N-cyclohexyl-2-oxopyridine-3-carboxamide
CID 48131648

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopenten-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[4-(cyclopenten-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464845) is N-[[4-(cyclopenten-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(cyclopenten-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(cyclopenten-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(c1ccccc1)c1ccc(C2=CCCC2)cc1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[[4-(cyclopenten-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is JDDBCIUZFQPZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O2/c26-25(27,28)21-15-14-20(23(31)29-21)24(32)30-22(18-8-2-1-3-9-18)19-12-10-17(11-13-19)16-6-4-5-7-16/h1-3,6,8-15,22H,4-5,7H2,(H,29,31)(H,30,32).
What are the key properties of N-[[4-(cyclopenten-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[[4-(cyclopenten-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 438.45 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopenten-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).