2-amino-5-(2-cyano-6-methoxyanilino)benzamide

C15H14N4O2 — CID 107469623

IUPAC2-amino-5-(2-cyano-6-methoxyanilino)benzamide
SMILESCOc1cccc(C#N)c1Nc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C15H14N4O2/c1-21-13-4-2-3-9(8-16)14(13)19-10-5-6-12(17)11(7-10)15(18)20/h2-7,19H,17H2,1H3,(H2,18,20)
InChIKeySARNFUOJSWNHBY-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.99
Rot. Bonds4

About 2-amino-5-(2-cyano-6-methoxyanilino)benzamide

2-amino-5-(2-cyano-6-methoxyanilino)benzamide (PubChem CID 107469623) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-amino-5-(2-cyano-6-methoxyanilino)benzamide.

Molecular Properties

Compound Name2-amino-5-(2-cyano-6-methoxyanilino)benzamide
PubChem CID107469623
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-amino-5-(2-cyano-6-methoxyanilino)benzamide
SMILESCOc1cccc(C#N)c1Nc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C15H14N4O2/c1-21-13-4-2-3-9(8-16)14(13)19-10-5-6-12(17)11(7-10)15(18)20/h2-7,19H,17H2,1H3,(H2,18,20)
InChIKeySARNFUOJSWNHBY-UHFFFAOYSA-N
XLogP1.99
TPSA114.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-5-(2-cyano-6-methoxyanilino)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-(4-amino-3-methylanilino)-3-methoxybenzonitrile
CID 107466454
2-(4-amino-3-ethoxyanilino)-3-methoxybenzonitrile
CID 107466512
2-amino-5-(3-methoxyanilino)benzamide
CID 61307103
2-(3,4-dimethoxyanilino)benzene-1,3-dicarbonitrile
CID 133498340
2-amino-5-(4-bromo-3-methoxyanilino)benzamide
CID 82859808
2-amino-5-(4-methoxyanilino)benzamide
CID 61311885
2-(2-aminoanilino)-3-methoxybenzonitrile
CID 107466495
2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107466376
2-amino-5-(3-methylanilino)benzamide
CID 61307453
2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide
CID 106262491
2-amino-5-(2,4,6-trimethylanilino)benzamide
CID 61313467
4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 107466425

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-cyano-6-methoxyanilino)benzamide?
The IUPAC name of 2-amino-5-(2-cyano-6-methoxyanilino)benzamide (CID 107469623) is 2-amino-5-(2-cyano-6-methoxyanilino)benzamide.
What is the SMILES notation for 2-amino-5-(2-cyano-6-methoxyanilino)benzamide?
The canonical SMILES for 2-amino-5-(2-cyano-6-methoxyanilino)benzamide is COc1cccc(C#N)c1Nc1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 2-amino-5-(2-cyano-6-methoxyanilino)benzamide?
The InChIKey is SARNFUOJSWNHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-13-4-2-3-9(8-16)14(13)19-10-5-6-12(17)11(7-10)15(18)20/h2-7,19H,17H2,1H3,(H2,18,20).
What are the key properties of 2-amino-5-(2-cyano-6-methoxyanilino)benzamide?
2-amino-5-(2-cyano-6-methoxyanilino)benzamide has a molecular weight of 282.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-cyano-6-methoxyanilino)benzamide is sourced from PubChem (CID 107469623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).