5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide

C13H14N4O — CID 107586461

IUPAC5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide
SMILESCc1cncc(Nc2ccc(N)cc2C(N)=O)c1
InChIInChI=1S/C13H14N4O/c1-8-4-10(7-16-6-8)17-12-3-2-9(14)5-11(12)13(15)18/h2-7,17H,14H2,1H3,(H2,15,18)
InChIKeyCJFBPQIQRMGSFY-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.81
Rot. Bonds3

About 5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide

5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide (PubChem CID 107586461) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide
PubChem CID107586461
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide
SMILESCc1cncc(Nc2ccc(N)cc2C(N)=O)c1
InChIInChI=1S/C13H14N4O/c1-8-4-10(7-16-6-8)17-12-3-2-9(14)5-11(12)13(15)18/h2-7,17H,14H2,1H3,(H2,15,18)
InChIKeyCJFBPQIQRMGSFY-UHFFFAOYSA-N
XLogP1.81
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.81
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-(3,4-dimethylanilino)benzamide
CID 61307817
5-amino-2-[(4-methyl-3-pyridinyl)amino]benzamide
CID 55202661
5-amino-2-(4-bromo-3-methylanilino)benzamide
CID 61306866
5-amino-2-(4-bromoanilino)benzamide
CID 55125298
methyl 3-amino-4-[(5-methyl-3-pyridinyl)amino]benzoate
CID 107586479
methyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate
CID 114047485
5-amino-2-(4-propylanilino)benzamide
CID 61305335
5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 107584508
4-amino-2-(3-fluoro-5-methylanilino)benzamide
CID 79048555
6-methyl-3-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid
CID 69237499
5-amino-2-(4-fluoro-3-methoxyanilino)benzamide
CID 114840634
4-(3-methylanilino)pyridine-3-carboxamide
CID 69304920

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide?
The IUPAC name of 5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide (CID 107586461) is 5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide.
What is the SMILES notation for 5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide?
The canonical SMILES for 5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide is Cc1cncc(Nc2ccc(N)cc2C(N)=O)c1.
What is the InChIKey of 5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide?
The InChIKey is CJFBPQIQRMGSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-4-10(7-16-6-8)17-12-3-2-9(14)5-11(12)13(15)18/h2-7,17H,14H2,1H3,(H2,15,18).
What are the key properties of 5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide?
5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide has a molecular weight of 242.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide is sourced from PubChem (CID 107586461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).