4-oxo-N-pentyl-1H-pyridine-3-carboxamide

C11H16N2O2 — CID 103336717

IUPAC4-oxo-N-pentyl-1H-pyridine-3-carboxamide
SMILESCCCCCNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C11H16N2O2/c1-2-3-4-6-13-11(15)9-8-12-7-5-10(9)14/h5,7-8H,2-4,6H2,1H3,(H,12,14)(H,13,15)
InChIKeyQDSOICGRQLEKCW-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.29
Rot. Bonds5

About 4-oxo-N-pentyl-1H-pyridine-3-carboxamide

4-oxo-N-pentyl-1H-pyridine-3-carboxamide (PubChem CID 103336717) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-oxo-N-pentyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-pentyl-1H-pyridine-3-carboxamide
PubChem CID103336717
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-oxo-N-pentyl-1H-pyridine-3-carboxamide
SMILESCCCCCNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C11H16N2O2/c1-2-3-4-6-13-11(15)9-8-12-7-5-10(9)14/h5,7-8H,2-4,6H2,1H3,(H,12,14)(H,13,15)
InChIKeyQDSOICGRQLEKCW-UHFFFAOYSA-N
XLogP1.29
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-oxo-N-pentyl-1H-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 4-oxo-N-pentyl-1H-pyridine-3-carboxamide?
The IUPAC name of 4-oxo-N-pentyl-1H-pyridine-3-carboxamide (CID 103336717) is 4-oxo-N-pentyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-pentyl-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-oxo-N-pentyl-1H-pyridine-3-carboxamide is CCCCCNC(=O)c1c[nH]ccc1=O.
What is the InChIKey of 4-oxo-N-pentyl-1H-pyridine-3-carboxamide?
The InChIKey is QDSOICGRQLEKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-3-4-6-13-11(15)9-8-12-7-5-10(9)14/h5,7-8H,2-4,6H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 4-oxo-N-pentyl-1H-pyridine-3-carboxamide?
4-oxo-N-pentyl-1H-pyridine-3-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-pentyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103336717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).