N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide

C65H49N17O9 — CID 161178902

IUPACN-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide
SMILESO=C(/C=C/c1ccccc1)Nc1nc(NC(=O)c2ccccc2)nn1-c1ccccn1.O=C(Nc1nc(NC(=O)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1)c1ccccc1.O=C(Nc1nc(NC(=O)c2ccco2)n(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C23H18N6O2.C22H16N6O4.C20H15N5O3/c30-20(15-14-17-9-3-1-4-10-17)25-23-27-22(26-21(31)18-11-5-2-6-12-18)28-29(23)19-13-7-8-16-24-19;29-19(15-8-3-1-4-9-15)23-21-25-22(27(26-21)17-11-5-2-6-12-17)24-20(30)16-10-7-13-18(14-16)28(31)32;26-17(14-8-3-1-4-9-14)21-19-23-20(22-18(27)16-12-7-13-28-16)25(24-19)15-10-5-2-6-11-15/h1-16H,(H2,25,26,27,28,30,31);1-14H,(H2,23,24,25,26,29,30);1-13H,(H2,21,22,23,24,26,27)/b15-14+;;
InChIKeyOKSVGUFZHBKBJP-NSKUCRDLSA-N
MW1212.22 g/mol
LogP10.61
Rot. Bonds17

About N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide

N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide (PubChem CID 161178902) has the molecular formula C65H49N17O9 and a molecular weight of 1212.22 g/mol. Its IUPAC name is N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide
PubChem CID161178902
Molecular FormulaC65H49N17O9
Molecular Weight1212.22 g/mol
Exact Mass1211.39
IUPAC NameN-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide
SMILESO=C(/C=C/c1ccccc1)Nc1nc(NC(=O)c2ccccc2)nn1-c1ccccn1.O=C(Nc1nc(NC(=O)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1)c1ccccc1.O=C(Nc1nc(NC(=O)c2ccco2)n(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C23H18N6O2.C22H16N6O4.C20H15N5O3/c30-20(15-14-17-9-3-1-4-10-17)25-23-27-22(26-21(31)18-11-5-2-6-12-18)28-29(23)19-13-7-8-16-24-19;29-19(15-8-3-1-4-9-15)23-21-25-22(27(26-21)17-11-5-2-6-12-17)24-20(30)16-10-7-13-18(14-16)28(31)32;26-17(14-8-3-1-4-9-14)21-19-23-20(22-18(27)16-12-7-13-28-16)25(24-19)15-10-5-2-6-11-15/h1-16H,(H2,25,26,27,28,30,31);1-14H,(H2,23,24,25,26,29,30);1-13H,(H2,21,22,23,24,26,27)/b15-14+;;
InChIKeyOKSVGUFZHBKBJP-NSKUCRDLSA-N
XLogP10.61
TPSA335.90 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001212.22
LogP ≤ 510.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide 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-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 21369241
3-nitro-N'-(3-phenylprop-2-enoyl)benzohydrazide
CID 3738377
3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-N-pyridin-2-ylbenzamide
CID 60617200
N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 3127339
3-(3-nitrophenyl)-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)prop-2-enamide
CID 1292557
3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
CID 8867207
1-(furan-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 3118921
N-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 17313945
(E)-3-(3-nitrophenyl)-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide
CID 6072933
(E)-3-(3-nitrophenyl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]prop-2-enamide
CID 30332371
(E)-3-(3-nitrophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]prop-2-enamide
CID 134000558
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 21369289

Frequently Asked Questions

What is the IUPAC name of N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide (CID 161178902) is N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide is O=C(/C=C/c1ccccc1)Nc1nc(NC(=O)c2ccccc2)nn1-c1ccccn1.O=C(Nc1nc(NC(=O)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1)c1ccccc1.O=C(Nc1nc(NC(=O)c2ccco2)n(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide?
The InChIKey is OKSVGUFZHBKBJP-NSKUCRDLSA-N. The full InChI is InChI=1S/C23H18N6O2.C22H16N6O4.C20H15N5O3/c30-20(15-14-17-9-3-1-4-10-17)25-23-27-22(26-21(31)18-11-5-2-6-12-18)28-29(23)19-13-7-8-16-24-19;29-19(15-8-3-1-4-9-15)23-21-25-22(27(26-21)17-11-5-2-6-12-17)24-20(30)16-10-7-13-18(14-16)28(31)32;26-17(14-8-3-1-4-9-14)21-19-23-20(22-18(27)16-12-7-13-28-16)25(24-19)15-10-5-2-6-11-15/h1-16H,(H2,25,26,27,28,30,31);1-14H,(H2,23,24,25,26,29,30);1-13H,(H2,21,22,23,24,26,27)/b15-14+;;.
What are the key properties of N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide?
N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide has a molecular weight of 1212.22 g/mol, XLogP of 10.61, 17 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 161178902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).