N-(2-amino-5-phenylphenyl)-4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzamide

C26H27N5O — CID 25158261

IUPACN-(2-amino-5-phenylphenyl)-4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
SMILESCc1c(CNCc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3N)cc2)cnn1C
InChIInChI=1S/C26H27N5O/c1-18-23(17-29-31(18)2)16-28-15-19-8-10-21(11-9-19)26(32)30-25-14-22(12-13-24(25)27)20-6-4-3-5-7-20/h3-14,17,28H,15-16,27H2,1-2H3,(H,30,32)
InChIKeyZGGMUNJMGPPDEV-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.52
Rot. Bonds7

About N-(2-amino-5-phenylphenyl)-4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzamide

N-(2-amino-5-phenylphenyl)-4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzamide (PubChem CID 25158261) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
PubChem CID25158261
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC NameN-(2-amino-5-phenylphenyl)-4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
SMILESCc1c(CNCc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3N)cc2)cnn1C
InChIInChI=1S/C26H27N5O/c1-18-23(17-29-31(18)2)16-28-15-19-8-10-21(11-9-19)26(32)30-25-14-22(12-13-24(25)27)20-6-4-3-5-7-20/h3-14,17,28H,15-16,27H2,1-2H3,(H,30,32)
InChIKeyZGGMUNJMGPPDEV-UHFFFAOYSA-N
XLogP4.52
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25157972
N-(2-amino-5-phenylphenyl)-4-{[methyl(pyridin-4-yl)amino]methyl}benzamide
CID 25157973
N-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide
CID 150533442
N-[(E)-1-[4-[(3-fluorobenzoyl)amino]phenyl]ethylideneamino]-1-methylpyrazole-3-carboxamide
CID 7695693
2-methyl-2H-pyrazole-3-carboxylic acid (2-methyl-4-o-tolylazophenyl)amide
CID 3091786
N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494
CID 155557232
CID 155557232
hCB1 Inhibitor, 2{1,1,8}
CID 11465875
4-phenyl-N-[4-[propyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)amino]butyl]benzamide
CID 52937776
4-phenyl-N-[4-[propyl-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]amino]butyl]benzamide
CID 52937876
7-Azido-N-(2-(1H-pyrazol-1-yl)phenyl)-9-oxo-9H-fluorene-1-carboxamide
CID 11495153
7-amino-N-(2-(1H-pyrazol-1-yl)phenyl)-9-oxo-9H-fluorene-1-carboxamide
CID 11545376

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzamide (CID 25158261) is N-(2-amino-5-phenylphenyl)-4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzamide is Cc1c(CNCc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3N)cc2)cnn1C.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzamide?
The InChIKey is ZGGMUNJMGPPDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-18-23(17-29-31(18)2)16-28-15-19-8-10-21(11-9-19)26(32)30-25-14-22(12-13-24(25)27)20-6-4-3-5-7-20/h3-14,17,28H,15-16,27H2,1-2H3,(H,30,32).
What are the key properties of N-(2-amino-5-phenylphenyl)-4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzamide?
N-(2-amino-5-phenylphenyl)-4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzamide has a molecular weight of 425.54 g/mol, XLogP of 4.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 25158261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).