3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide

C15H14N4O — CID 62983145

IUPAC3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cc(N)cc(N)c1)c1cccc(C#N)c1
InChIInChI=1S/C15H14N4O/c1-19(14-4-2-3-10(5-14)9-16)15(20)11-6-12(17)8-13(18)7-11/h2-8H,17-18H2,1H3
InChIKeyKHPDLYJSIPSGMH-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.00
Rot. Bonds2

About 3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide

3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide (PubChem CID 62983145) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide
PubChem CID62983145
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cc(N)cc(N)c1)c1cccc(C#N)c1
InChIInChI=1S/C15H14N4O/c1-19(14-4-2-3-10(5-14)9-16)15(20)11-6-12(17)8-13(18)7-11/h2-8H,17-18H2,1H3
InChIKeyKHPDLYJSIPSGMH-UHFFFAOYSA-N
XLogP2.00
TPSA96.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide 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

3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
CID 62981166
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969
4-amino-N-(3-cyanophenyl)-N,1-dimethylpyrrole-2-carboxamide
CID 62981947
N-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide
CID 62983094
2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide
CID 62980898
N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide
CID 106752946
3-bromo-N-(3-cyanophenyl)-N,4-dimethylbenzamide
CID 79467111
2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 79723280
2-amino-N-(3-cyanophenyl)-N-methylpropanamide
CID 62981812
N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407929
5-(3-aminoprop-1-ynyl)-N-(3-cyanophenyl)-N-methylthiophene-3-carboxamide
CID 79691893
4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide
CID 52822955

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide?
The IUPAC name of 3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide (CID 62983145) is 3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide.
What is the SMILES notation for 3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide?
The canonical SMILES for 3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide is CN(C(=O)c1cc(N)cc(N)c1)c1cccc(C#N)c1.
What is the InChIKey of 3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide?
The InChIKey is KHPDLYJSIPSGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19(14-4-2-3-10(5-14)9-16)15(20)11-6-12(17)8-13(18)7-11/h2-8H,17-18H2,1H3.
What are the key properties of 3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide?
3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide has a molecular weight of 266.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide is sourced from PubChem (CID 62983145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).