3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide

C13H14N4O — CID 79042253

IUPAC3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide
SMILESCc1ncccc1NC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C13H14N4O/c1-8-12(3-2-4-16-8)17-13(18)9-5-10(14)7-11(15)6-9/h2-7H,14-15H2,1H3,(H,17,18)
InChIKeyGSBPVVFCLXMARC-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.81
Rot. Bonds2

About 3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide

3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide (PubChem CID 79042253) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide
PubChem CID79042253
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide
SMILESCc1ncccc1NC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C13H14N4O/c1-8-12(3-2-4-16-8)17-13(18)9-5-10(14)7-11(15)6-9/h2-7H,14-15H2,1H3,(H,17,18)
InChIKeyGSBPVVFCLXMARC-UHFFFAOYSA-N
XLogP1.81
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
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

3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide
CID 114051406
3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide
CID 79042477
4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79041653
4-(methylamino)-N-(2-methyl-3-pyridinyl)benzamide
CID 79043682
3-amino-2-bromo-N-(2-methyl-3-pyridinyl)benzamide
CID 113367036
4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 103957362
4-amino-N-(2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 79042631
3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 103715047
2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide
CID 79713450
5-amino-N-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide
CID 79041889
5-amino-N-(2-methyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 79042031
2-amino-5-bromo-N-(2-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 79044111

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide?
The IUPAC name of 3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide (CID 79042253) is 3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide is Cc1ncccc1NC(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide?
The InChIKey is GSBPVVFCLXMARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-12(3-2-4-16-8)17-13(18)9-5-10(14)7-11(15)6-9/h2-7H,14-15H2,1H3,(H,17,18).
What are the key properties of 3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide?
3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide has a molecular weight of 242.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 79042253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).