3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide

C15H14N4O — CID 61103321

IUPAC3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide
SMILESN#Cc1cccc(CNC(=O)c2cc(N)cc(N)c2)c1
InChIInChI=1S/C15H14N4O/c16-8-10-2-1-3-11(4-10)9-19-15(20)12-5-13(17)7-14(18)6-12/h1-7H,9,17-18H2,(H,19,20)
InChIKeyUMFAIYHQSOZZRH-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.65
Rot. Bonds3

About 3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide

3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide (PubChem CID 61103321) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide
PubChem CID61103321
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide
SMILESN#Cc1cccc(CNC(=O)c2cc(N)cc(N)c2)c1
InChIInChI=1S/C15H14N4O/c16-8-10-2-1-3-11(4-10)9-19-15(20)12-5-13(17)7-14(18)6-12/h1-7H,9,17-18H2,(H,19,20)
InChIKeyUMFAIYHQSOZZRH-UHFFFAOYSA-N
XLogP1.65
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-diamino-N-[(3-cyanophenyl)methyl]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

2-amino-6-chloro-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide
CID 62314787
N-[(3-cyanophenyl)methyl]-4-sulfanylbenzamide
CID 107028201
N-[(4-aminophenyl)methyl]-3-cyanobenzamide
CID 60893168
3-amino-N-[(3-cyanophenyl)methyl]-5-fluoro-4-methylbenzamide
CID 61102742
3-bromo-N-[(3-cyanophenyl)methyl]-5-methylbenzamide
CID 104851511
3-amino-N-[(4-cyanophenyl)methyl]benzamide
CID 54937872
N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide
CID 114820614
3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide
CID 105069773
N-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide
CID 103951763
3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide
CID 61101981
2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide
CID 61102170
5-amino-N-[(3-cyanophenyl)methyl]-2,4-dimethylbenzamide
CID 102705125

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide?
The IUPAC name of 3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide (CID 61103321) is 3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide.
What is the SMILES notation for 3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide?
The canonical SMILES for 3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide is N#Cc1cccc(CNC(=O)c2cc(N)cc(N)c2)c1.
What is the InChIKey of 3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide?
The InChIKey is UMFAIYHQSOZZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-8-10-2-1-3-11(4-10)9-19-15(20)12-5-13(17)7-14(18)6-12/h1-7H,9,17-18H2,(H,19,20).
What are the key properties of 3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide?
3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide has a molecular weight of 266.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide is sourced from PubChem (CID 61103321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).