4-amino-N-(3-methyl-2-pyridinyl)benzamide

C13H13N3O — CID 28702

IUPAC4-amino-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H13N3O/c1-9-3-2-8-15-12(9)16-13(17)10-4-6-11(14)7-5-10/h2-8H,14H2,1H3,(H,15,16,17)
InChIKeyWUQYKHRMHJGLAI-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.22
Rot. Bonds2

About 4-amino-N-(3-methyl-2-pyridinyl)benzamide

4-amino-N-(3-methyl-2-pyridinyl)benzamide (PubChem CID 28702) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-amino-N-(3-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(3-methyl-2-pyridinyl)benzamide
PubChem CID28702
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name4-amino-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H13N3O/c1-9-3-2-8-15-12(9)16-13(17)10-4-6-11(14)7-5-10/h2-8H,14H2,1H3,(H,15,16,17)
InChIKeyWUQYKHRMHJGLAI-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-amino-N-(3-methyl-2-pyridinyl)benzamide (CID 28702) is 4-amino-N-(3-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-amino-N-(3-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-amino-N-(3-methyl-2-pyridinyl)benzamide is Cc1cccnc1NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(3-methyl-2-pyridinyl)benzamide?
The InChIKey is WUQYKHRMHJGLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-3-2-8-15-12(9)16-13(17)10-4-6-11(14)7-5-10/h2-8H,14H2,1H3,(H,15,16,17).
What are the key properties of 4-amino-N-(3-methyl-2-pyridinyl)benzamide?
4-amino-N-(3-methyl-2-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 4-amino-N-(3-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 28702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).