N-(2-benzamidoethyl)pyridine-2-carboxamide

C15H15N3O2 — CID 2986667

IUPACN-(2-benzamidoethyl)pyridine-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C15H15N3O2/c19-14(12-6-2-1-3-7-12)17-10-11-18-15(20)13-8-4-5-9-16-13/h1-9H,10-11H2,(H,17,19)(H,18,20)
InChIKeySGOSOHKTESYEFF-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.24
Rot. Bonds5

About N-(2-benzamidoethyl)pyridine-2-carboxamide

N-(2-benzamidoethyl)pyridine-2-carboxamide (PubChem CID 2986667) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2-benzamidoethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)pyridine-2-carboxamide
PubChem CID2986667
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-(2-benzamidoethyl)pyridine-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C15H15N3O2/c19-14(12-6-2-1-3-7-12)17-10-11-18-15(20)13-8-4-5-9-16-13/h1-9H,10-11H2,(H,17,19)(H,18,20)
InChIKeySGOSOHKTESYEFF-UHFFFAOYSA-N
XLogP1.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-benzamidoethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-benzamidoethyl)pyridine-2-carboxamide (CID 2986667) is N-(2-benzamidoethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-benzamidoethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-benzamidoethyl)pyridine-2-carboxamide is O=C(NCCNC(=O)c1ccccn1)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)pyridine-2-carboxamide?
The InChIKey is SGOSOHKTESYEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-14(12-6-2-1-3-7-12)17-10-11-18-15(20)13-8-4-5-9-16-13/h1-9H,10-11H2,(H,17,19)(H,18,20).
What are the key properties of N-(2-benzamidoethyl)pyridine-2-carboxamide?
N-(2-benzamidoethyl)pyridine-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)pyridine-2-carboxamide is sourced from PubChem (CID 2986667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).