2,4-diamino-N-methyl-N-pyridin-4-ylbenzamide

C13H14N4O — CID 106934261

IUPAC2,4-diamino-N-methyl-N-pyridin-4-ylbenzamide
SMILESCN(C(=O)c1ccc(N)cc1N)c1ccncc1
InChIInChI=1S/C13H14N4O/c1-17(10-4-6-16-7-5-10)13(18)11-3-2-9(14)8-12(11)15/h2-8H,14-15H2,1H3
InChIKeyZZWJCAPVJOVIBR-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.52
Rot. Bonds2

About 2,4-diamino-N-methyl-N-pyridin-4-ylbenzamide

2,4-diamino-N-methyl-N-pyridin-4-ylbenzamide (PubChem CID 106934261) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2,4-diamino-N-methyl-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2,4-diamino-N-methyl-N-pyridin-4-ylbenzamide
PubChem CID106934261
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2,4-diamino-N-methyl-N-pyridin-4-ylbenzamide
SMILESCN(C(=O)c1ccc(N)cc1N)c1ccncc1
InChIInChI=1S/C13H14N4O/c1-17(10-4-6-16-7-5-10)13(18)11-3-2-9(14)8-12(11)15/h2-8H,14-15H2,1H3
InChIKeyZZWJCAPVJOVIBR-UHFFFAOYSA-N
XLogP1.52
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide
CID 106934198
3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide
CID 106934244
2-amino-N-methyl-5-nitro-N-pyridin-4-ylbenzamide
CID 106937177
3-amino-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105069166
4-fluoro-N,2-dimethyl-N-pyridin-4-ylbenzamide
CID 106934866
2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 106934917
6-amino-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 106937214
3-amino-N-methyl-N-pyridin-4-ylpyridine-2-carboxamide
CID 106934951
N,4-dimethyl-2-(methylamino)-N-pyridin-4-ylbenzamide
CID 106937217
5-fluoro-2-hydroxy-N-methyl-N-pyridin-4-ylbenzamide
CID 106936071
2,4-diamino-N-methyl-N-pentan-3-ylbenzamide
CID 61093478
N,5-dimethyl-2-(methylamino)-N-pyridin-4-ylbenzamide
CID 106937153

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-methyl-N-pyridin-4-ylbenzamide?
The IUPAC name of 2,4-diamino-N-methyl-N-pyridin-4-ylbenzamide (CID 106934261) is 2,4-diamino-N-methyl-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2,4-diamino-N-methyl-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2,4-diamino-N-methyl-N-pyridin-4-ylbenzamide is CN(C(=O)c1ccc(N)cc1N)c1ccncc1.
What is the InChIKey of 2,4-diamino-N-methyl-N-pyridin-4-ylbenzamide?
The InChIKey is ZZWJCAPVJOVIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-17(10-4-6-16-7-5-10)13(18)11-3-2-9(14)8-12(11)15/h2-8H,14-15H2,1H3.
What are the key properties of 2,4-diamino-N-methyl-N-pyridin-4-ylbenzamide?
2,4-diamino-N-methyl-N-pyridin-4-ylbenzamide has a molecular weight of 242.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-methyl-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 106934261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).