N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C15H10F3N5O2 — CID 137263458

IUPACN-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2n[nH]c(=O)[nH]2)cc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C15H10F3N5O2/c16-15(17,18)9-5-8(12-21-14(25)23-22-12)6-10(7-9)20-13(24)11-3-1-2-4-19-11/h1-7H,(H,20,24)(H2,21,22,23,25)
InChIKeyJLVXWRDIPBFRNJ-UHFFFAOYSA-N
MW349.27 g/mol
LogP2.43
Rot. Bonds3

About N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 137263458) has the molecular formula C15H10F3N5O2 and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID137263458
Molecular FormulaC15H10F3N5O2
Molecular Weight349.27 g/mol
Exact Mass349.08
IUPAC NameN-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2n[nH]c(=O)[nH]2)cc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C15H10F3N5O2/c16-15(17,18)9-5-8(12-21-14(25)23-22-12)6-10(7-9)20-13(24)11-3-1-2-4-19-11/h1-7H,(H,20,24)(H2,21,22,23,25)
InChIKeyJLVXWRDIPBFRNJ-UHFFFAOYSA-N
XLogP2.43
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]urea
CID 91501313
N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
CID 136525639
N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648753
N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162536125
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
2-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 155776669
N-[3-(1H-imidazol-2-yl)phenyl]pyridine-2-carboxamide
CID 110744210
N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide
CID 82884387
N-(4-pyridin-2-ylphenyl)pyridine-2-carboxamide
CID 110461625
N-(9H-carbazol-2-yl)pyridine-2-carboxamide
CID 66605805
N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 74223854
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 137263458) is N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1cc(-c2n[nH]c(=O)[nH]2)cc(C(F)(F)F)c1)c1ccccn1.
What is the InChIKey of N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is JLVXWRDIPBFRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O2/c16-15(17,18)9-5-8(12-21-14(25)23-22-12)6-10(7-9)20-13(24)11-3-1-2-4-19-11/h1-7H,(H,20,24)(H2,21,22,23,25).
What are the key properties of N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 349.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 137263458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).