2-amino-3-(methylamino)-N-pyridin-2-ylbenzamide

C13H14N4O — CID 143922347

IUPAC2-amino-3-(methylamino)-N-pyridin-2-ylbenzamide
SMILESCNc1cccc(C(=O)Nc2ccccn2)c1N
InChIInChI=1S/C13H14N4O/c1-15-10-6-4-5-9(12(10)14)13(18)17-11-7-2-3-8-16-11/h2-8,15H,14H2,1H3,(H,16,17,18)
InChIKeyDSFCYZWPUJYYNR-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.96
Rot. Bonds3

About 2-amino-3-(methylamino)-N-pyridin-2-ylbenzamide

2-amino-3-(methylamino)-N-pyridin-2-ylbenzamide (PubChem CID 143922347) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-amino-3-(methylamino)-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-3-(methylamino)-N-pyridin-2-ylbenzamide
PubChem CID143922347
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-amino-3-(methylamino)-N-pyridin-2-ylbenzamide
SMILESCNc1cccc(C(=O)Nc2ccccn2)c1N
InChIInChI=1S/C13H14N4O/c1-15-10-6-4-5-9(12(10)14)13(18)17-11-7-2-3-8-16-11/h2-8,15H,14H2,1H3,(H,16,17,18)
InChIKeyDSFCYZWPUJYYNR-UHFFFAOYSA-N
XLogP1.96
TPSA80.04 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 ≤ 51.96
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

2-amino-N-pyridin-2-ylthiophene-3-carboxamide
CID 67028801
2-[(2-iodobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 30335086
2-[(4-hydroxybenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 129127209
2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride
CID 175760684
4-amino-N-pyridin-2-ylpyridine-3-carboxamide
CID 81236875
2-[(2-ethoxybenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 90010791
2-amino-3-fluoro-N-pyridin-2-ylpyridine-4-carboxamide
CID 105384358
1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide
CID 145416212
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
4-fluoro-5-(methylamino)-2-nitro-N-pyridin-2-ylbenzamide
CID 62171860
4-hydrazinyl-6-methyl-N-pyridin-2-ylpyridine-3-carboxamide
CID 81256191
2-amino-3-methyl-N-pyrazin-2-ylbenzamide
CID 43616017

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(methylamino)-N-pyridin-2-ylbenzamide?
The IUPAC name of 2-amino-3-(methylamino)-N-pyridin-2-ylbenzamide (CID 143922347) is 2-amino-3-(methylamino)-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-amino-3-(methylamino)-N-pyridin-2-ylbenzamide?
The canonical SMILES for 2-amino-3-(methylamino)-N-pyridin-2-ylbenzamide is CNc1cccc(C(=O)Nc2ccccn2)c1N.
What is the InChIKey of 2-amino-3-(methylamino)-N-pyridin-2-ylbenzamide?
The InChIKey is DSFCYZWPUJYYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-15-10-6-4-5-9(12(10)14)13(18)17-11-7-2-3-8-16-11/h2-8,15H,14H2,1H3,(H,16,17,18).
What are the key properties of 2-amino-3-(methylamino)-N-pyridin-2-ylbenzamide?
2-amino-3-(methylamino)-N-pyridin-2-ylbenzamide has a molecular weight of 242.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(methylamino)-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 143922347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).