N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide

C13H19N3O2 — CID 43089636

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H19N3O2/c1-2-16-7-3-4-11(16)9-15-13(18)10-5-6-12(17)14-8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H,14,17)(H,15,18)
InChIKeyYIVDHQMZGTZXMK-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.59
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 43089636) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID43089636
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H19N3O2/c1-2-16-7-3-4-11(16)9-15-13(18)10-5-6-12(17)14-8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H,14,17)(H,15,18)
InChIKeyYIVDHQMZGTZXMK-UHFFFAOYSA-N
XLogP0.59
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxo-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 N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 43089636) is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide is CCN1CCCC1CNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YIVDHQMZGTZXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-16-7-3-4-11(16)9-15-13(18)10-5-6-12(17)14-8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 43089636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).