2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide

C15H14N4O2 — CID 107466376

IUPAC2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide
SMILESCOc1cccc(C#N)c1NC(=O)c1ccc(N)cc1N
InChIInChI=1S/C15H14N4O2/c1-21-13-4-2-3-9(8-16)14(13)19-15(20)11-6-5-10(17)7-12(11)18/h2-7H,17-18H2,1H3,(H,19,20)
InChIKeyRXADLUJMAOTPIJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.98
Rot. Bonds3

About 2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide

2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide (PubChem CID 107466376) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide
PubChem CID107466376
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide
SMILESCOc1cccc(C#N)c1NC(=O)c1ccc(N)cc1N
InChIInChI=1S/C15H14N4O2/c1-21-13-4-2-3-9(8-16)14(13)19-15(20)11-6-5-10(17)7-12(11)18/h2-7H,17-18H2,1H3,(H,19,20)
InChIKeyRXADLUJMAOTPIJ-UHFFFAOYSA-N
XLogP1.98
TPSA114.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.98
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

5-amino-N-(2-cyano-6-methoxyphenyl)pyridine-2-carboxamide
CID 107466429
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzamide
CID 107467342
2-chloro-N-(2-cyano-6-methoxyphenyl)-5-sulfanylbenzamide
CID 107469989
4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 107466425
3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107468118
6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide
CID 107469830
N-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 107467316
N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 107468068
3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide
CID 107468127
2-amino-5-(2-cyano-6-methoxyanilino)benzamide
CID 107469623
N-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 107468124
2-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)pyridine-4-carboxamide
CID 107467795

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide?
The IUPAC name of 2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide (CID 107466376) is 2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide.
What is the SMILES notation for 2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide?
The canonical SMILES for 2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide is COc1cccc(C#N)c1NC(=O)c1ccc(N)cc1N.
What is the InChIKey of 2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide?
The InChIKey is RXADLUJMAOTPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-13-4-2-3-9(8-16)14(13)19-15(20)11-6-5-10(17)7-12(11)18/h2-7H,17-18H2,1H3,(H,19,20).
What are the key properties of 2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide?
2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide has a molecular weight of 282.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide is sourced from PubChem (CID 107466376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).