2-amino-N-(2-methyl-4-pyridinyl)benzamide

C13H13N3O — CID 79235729

IUPAC2-amino-N-(2-methyl-4-pyridinyl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2N)ccn1
InChIInChI=1S/C13H13N3O/c1-9-8-10(6-7-15-9)16-13(17)11-4-2-3-5-12(11)14/h2-8H,14H2,1H3,(H,15,16,17)
InChIKeyDKQGJHMKBZNEET-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.22
Rot. Bonds2

About 2-amino-N-(2-methyl-4-pyridinyl)benzamide

2-amino-N-(2-methyl-4-pyridinyl)benzamide (PubChem CID 79235729) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-amino-N-(2-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2-methyl-4-pyridinyl)benzamide
PubChem CID79235729
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-amino-N-(2-methyl-4-pyridinyl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2N)ccn1
InChIInChI=1S/C13H13N3O/c1-9-8-10(6-7-15-9)16-13(17)11-4-2-3-5-12(11)14/h2-8H,14H2,1H3,(H,15,16,17)
InChIKeyDKQGJHMKBZNEET-UHFFFAOYSA-N
XLogP2.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-pyridin-4-ylbenzamide
CID 5080262
3-bromo-2-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 79035679
2-amino-5-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 79235180
4-amino-3-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 79234917
N-(2-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide
CID 110692738
N-(2-methyl-4-pyridinyl)quinoxaline-5-carboxamide
CID 110701472
2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide
CID 79240557
2,5-dimethyl-N-(2-methyl-4-pyridinyl)thiophene-3-carboxamide
CID 110705565
2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide
CID 103993823
3-(2-aminophenyl)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240805
2-(2-aminophenoxy)-N-(2-methyl-4-pyridinyl)acetamide
CID 79234996
2,5-dimethoxy-4-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 110763310

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methyl-4-pyridinyl)benzamide?
The IUPAC name of 2-amino-N-(2-methyl-4-pyridinyl)benzamide (CID 79235729) is 2-amino-N-(2-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for 2-amino-N-(2-methyl-4-pyridinyl)benzamide?
The canonical SMILES for 2-amino-N-(2-methyl-4-pyridinyl)benzamide is Cc1cc(NC(=O)c2ccccc2N)ccn1.
What is the InChIKey of 2-amino-N-(2-methyl-4-pyridinyl)benzamide?
The InChIKey is DKQGJHMKBZNEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-8-10(6-7-15-9)16-13(17)11-4-2-3-5-12(11)14/h2-8H,14H2,1H3,(H,15,16,17).
What are the key properties of 2-amino-N-(2-methyl-4-pyridinyl)benzamide?
2-amino-N-(2-methyl-4-pyridinyl)benzamide has a molecular weight of 227.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 79235729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).