N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]pyridine-4-carbohydrazide

C27H21N7O2 — CID 18184881

IUPACN'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]pyridine-4-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Nc2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1)c1ccncc1
InChIInChI=1S/C27H21N7O2/c35-25(31-32-26(36)21-15-17-28-18-16-21)20-11-13-22(14-12-20)29-27-30-24(19-7-3-1-4-8-19)34(33-27)23-9-5-2-6-10-23/h1-18H,(H,29,33)(H,31,35)(H,32,36)
InChIKeyJQDFYZDIQKGVMB-UHFFFAOYSA-N
MW475.51 g/mol
LogP4.15
Rot. Bonds6

About N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]pyridine-4-carbohydrazide

N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]pyridine-4-carbohydrazide (PubChem CID 18184881) has the molecular formula C27H21N7O2 and a molecular weight of 475.51 g/mol. Its IUPAC name is N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]pyridine-4-carbohydrazide
PubChem CID18184881
Molecular FormulaC27H21N7O2
Molecular Weight475.51 g/mol
Exact Mass475.18
IUPAC NameN'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]pyridine-4-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Nc2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1)c1ccncc1
InChIInChI=1S/C27H21N7O2/c35-25(31-32-26(36)21-15-17-28-18-16-21)20-11-13-22(14-12-20)29-27-30-24(19-7-3-1-4-8-19)34(33-27)23-9-5-2-6-10-23/h1-18H,(H,29,33)(H,31,35)(H,32,36)
InChIKeyJQDFYZDIQKGVMB-UHFFFAOYSA-N
XLogP4.15
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]pyridine-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]naphthalene-2-carbohydrazide
CID 18184865
N'-(benzenesulfonyl)-4-[[5-phenyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide
CID 18184877
4-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-N-methylbenzamide
CID 134953915
3-N-phenyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine
CID 58976315
N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
CID 141394362
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 35929530
N-(5-methyl-1-phenylpyrazol-4-yl)pyridine-4-carboxamide
CID 11242907
N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-4-carboxamide
CID 155527846
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109
1,5-diphenyl-N'-[(E)-3-pyridin-3-ylprop-2-enoyl]-1,2,4-triazole-3-carbohydrazide
CID 38041824
N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2448076

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]pyridine-4-carbohydrazide (CID 18184881) is N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]pyridine-4-carbohydrazide is O=C(NNC(=O)c1ccc(Nc2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1)c1ccncc1.
What is the InChIKey of N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]pyridine-4-carbohydrazide?
The InChIKey is JQDFYZDIQKGVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N7O2/c35-25(31-32-26(36)21-15-17-28-18-16-21)20-11-13-22(14-12-20)29-27-30-24(19-7-3-1-4-8-19)34(33-27)23-9-5-2-6-10-23/h1-18H,(H,29,33)(H,31,35)(H,32,36).
What are the key properties of N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]pyridine-4-carbohydrazide?
N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]pyridine-4-carbohydrazide has a molecular weight of 475.51 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 18184881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).