3-amino-4-[(3-cyanophenyl)methylamino]benzamide

C15H14N4O — CID 62312022

IUPAC3-amino-4-[(3-cyanophenyl)methylamino]benzamide
SMILESN#Cc1cccc(CNc2ccc(C(N)=O)cc2N)c1
InChIInChI=1S/C15H14N4O/c16-8-10-2-1-3-11(6-10)9-19-14-5-4-12(15(18)20)7-13(14)17/h1-7,19H,9,17H2,(H2,18,20)
InChIKeyCAMOXEPHFZTJDY-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.85
Rot. Bonds4

About 3-amino-4-[(3-cyanophenyl)methylamino]benzamide

3-amino-4-[(3-cyanophenyl)methylamino]benzamide (PubChem CID 62312022) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-amino-4-[(3-cyanophenyl)methylamino]benzamide.

Molecular Properties

Compound Name3-amino-4-[(3-cyanophenyl)methylamino]benzamide
PubChem CID62312022
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-amino-4-[(3-cyanophenyl)methylamino]benzamide
SMILESN#Cc1cccc(CNc2ccc(C(N)=O)cc2N)c1
InChIInChI=1S/C15H14N4O/c16-8-10-2-1-3-11(6-10)9-19-14-5-4-12(15(18)20)7-13(14)17/h1-7,19H,9,17H2,(H2,18,20)
InChIKeyCAMOXEPHFZTJDY-UHFFFAOYSA-N
XLogP1.85
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[(3-cyanophenyl)methylamino]benzamide
CID 62315337
3-[(3-cyanophenyl)methylamino]-4-methoxybenzamide
CID 43735340
3-[(3-cyanoanilino)methyl]benzamide
CID 28580996
3-[(2-bromo-4-cyanoanilino)methyl]benzamide
CID 63276987
3-amino-4-[(3-cyanophenyl)methylamino]benzenesulfonamide
CID 62312013
3-[(2-cyanoanilino)methyl]benzamide
CID 28580909
3-[(4-amino-2-chloroanilino)methyl]benzonitrile
CID 62312004
5-bromo-2-[(3-cyanophenyl)methylamino]benzonitrile
CID 82708745
3-[(3-cyanophenyl)methylamino]-N,4-dimethylbenzamide
CID 43726891
3-amino-4-(2-bromo-4-cyanoanilino)benzamide
CID 107787268
4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide
CID 174858317
4-[(3-cyanophenyl)methylamino]-3-methoxybenzonitrile
CID 104843630

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(3-cyanophenyl)methylamino]benzamide?
The IUPAC name of 3-amino-4-[(3-cyanophenyl)methylamino]benzamide (CID 62312022) is 3-amino-4-[(3-cyanophenyl)methylamino]benzamide.
What is the SMILES notation for 3-amino-4-[(3-cyanophenyl)methylamino]benzamide?
The canonical SMILES for 3-amino-4-[(3-cyanophenyl)methylamino]benzamide is N#Cc1cccc(CNc2ccc(C(N)=O)cc2N)c1.
What is the InChIKey of 3-amino-4-[(3-cyanophenyl)methylamino]benzamide?
The InChIKey is CAMOXEPHFZTJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-8-10-2-1-3-11(6-10)9-19-14-5-4-12(15(18)20)7-13(14)17/h1-7,19H,9,17H2,(H2,18,20).
What are the key properties of 3-amino-4-[(3-cyanophenyl)methylamino]benzamide?
3-amino-4-[(3-cyanophenyl)methylamino]benzamide has a molecular weight of 266.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(3-cyanophenyl)methylamino]benzamide is sourced from PubChem (CID 62312022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).