N-(4-bromophenyl)-5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carboxamide

C20H14BrN5O — CID 11647434

IUPACN-(4-bromophenyl)-5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1nc(-c2ccccc2)n(-c2cccnc2)n1
InChIInChI=1S/C20H14BrN5O/c21-15-8-10-16(11-9-15)23-20(27)18-24-19(14-5-2-1-3-6-14)26(25-18)17-7-4-12-22-13-17/h1-13H,(H,23,27)
InChIKeyOWYAVYSPKRYIAI-UHFFFAOYSA-N
MW420.27 g/mol
LogP4.34
Rot. Bonds4

About N-(4-bromophenyl)-5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carboxamide

N-(4-bromophenyl)-5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carboxamide (PubChem CID 11647434) has the molecular formula C20H14BrN5O and a molecular weight of 420.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carboxamide
PubChem CID11647434
Molecular FormulaC20H14BrN5O
Molecular Weight420.27 g/mol
Exact Mass419.04
IUPAC NameN-(4-bromophenyl)-5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1nc(-c2ccccc2)n(-c2cccnc2)n1
InChIInChI=1S/C20H14BrN5O/c21-15-8-10-16(11-9-15)23-20(27)18-24-19(14-5-2-1-3-6-14)26(25-18)17-7-4-12-22-13-17/h1-13H,(H,23,27)
InChIKeyOWYAVYSPKRYIAI-UHFFFAOYSA-N
XLogP4.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.27
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745504
1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide
CID 29227850
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55573470
N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2447508
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
1,5-diphenyl-N'-[(E)-3-pyridin-3-ylprop-2-enoyl]-1,2,4-triazole-3-carbohydrazide
CID 38041824
1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 50745567
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 42692774
N-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55948214
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 18204542
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carboxamide (CID 11647434) is N-(4-bromophenyl)-5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1nc(-c2ccccc2)n(-c2cccnc2)n1.
What is the InChIKey of N-(4-bromophenyl)-5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is OWYAVYSPKRYIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN5O/c21-15-8-10-16(11-9-15)23-20(27)18-24-19(14-5-2-1-3-6-14)26(25-18)17-7-4-12-22-13-17/h1-13H,(H,23,27).
What are the key properties of N-(4-bromophenyl)-5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carboxamide?
N-(4-bromophenyl)-5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 420.27 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 11647434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).