N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide

C19H14F4N6O2 — CID 86939550

IUPACN-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cn(-c2ccc(C(F)(F)F)cn2)nn1
InChIInChI=1S/C19H14F4N6O2/c20-13-8-12(4-5-15(13)28-7-1-2-17(28)30)25-18(31)14-10-29(27-26-14)16-6-3-11(9-24-16)19(21,22)23/h3-6,8-10H,1-2,7H2,(H,25,31)
InChIKeyAKTPLUZALSPJHW-UHFFFAOYSA-N
MW434.35 g/mol
LogP3.20
Rot. Bonds4

About N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide

N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide (PubChem CID 86939550) has the molecular formula C19H14F4N6O2 and a molecular weight of 434.35 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide
PubChem CID86939550
Molecular FormulaC19H14F4N6O2
Molecular Weight434.35 g/mol
Exact Mass434.11
IUPAC NameN-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cn(-c2ccc(C(F)(F)F)cn2)nn1
InChIInChI=1S/C19H14F4N6O2/c20-13-8-12(4-5-15(13)28-7-1-2-17(28)30)25-18(31)14-10-29(27-26-14)16-6-3-11(9-24-16)19(21,22)23/h3-6,8-10H,1-2,7H2,(H,25,31)
InChIKeyAKTPLUZALSPJHW-UHFFFAOYSA-N
XLogP3.20
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-methyltriazole-4-carboxamide
CID 71806466
N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide
CID 119386131
3,5-dichloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxybenzamide
CID 86939994
3-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]amino]butanoic acid
CID 119348310
(2R)-3-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]amino]butanoic acid
CID 119368494
[3-(1-aminoethyl)piperidin-1-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone;dihydrochloride
CID 119593032
N-(3-hydroxybutyl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide
CID 111428828
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687570
4-[[[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542681
N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687806
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide
CID 17452256
N-(1-amino-2-cyclopropylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide
CID 119572533

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide (CID 86939550) is N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide is O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cn(-c2ccc(C(F)(F)F)cn2)nn1.
What is the InChIKey of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide?
The InChIKey is AKTPLUZALSPJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N6O2/c20-13-8-12(4-5-15(13)28-7-1-2-17(28)30)25-18(31)14-10-29(27-26-14)16-6-3-11(9-24-16)19(21,22)23/h3-6,8-10H,1-2,7H2,(H,25,31).
What are the key properties of N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide?
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide has a molecular weight of 434.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide is sourced from PubChem (CID 86939550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).