2-(propylamino)pyridine-3-carboxamide

C9H13N3O — CID 651580

IUPAC2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(N)=O
InChIInChI=1S/C9H13N3O/c1-2-5-11-9-7(8(10)13)4-3-6-12-9/h3-4,6H,2,5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyOPOPYOXJGGBPEW-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.00
Rot. Bonds4

About 2-(propylamino)pyridine-3-carboxamide

2-(propylamino)pyridine-3-carboxamide (PubChem CID 651580) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(propylamino)pyridine-3-carboxamide
PubChem CID651580
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(N)=O
InChIInChI=1S/C9H13N3O/c1-2-5-11-9-7(8(10)13)4-3-6-12-9/h3-4,6H,2,5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyOPOPYOXJGGBPEW-UHFFFAOYSA-N
XLogP1.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(propylamino)pyridine-3-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 2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 2-(propylamino)pyridine-3-carboxamide (CID 651580) is 2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 2-(propylamino)pyridine-3-carboxamide is CCCNc1ncccc1C(N)=O.
What is the InChIKey of 2-(propylamino)pyridine-3-carboxamide?
The InChIKey is OPOPYOXJGGBPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-5-11-9-7(8(10)13)4-3-6-12-9/h3-4,6H,2,5H2,1H3,(H2,10,13)(H,11,12).
What are the key properties of 2-(propylamino)pyridine-3-carboxamide?
2-(propylamino)pyridine-3-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 651580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).