N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide

C13H17N3O2 — CID 2225136

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cccnc1
InChIInChI=1S/C13H17N3O2/c17-12-5-2-8-16(12)9-3-7-15-13(18)11-4-1-6-14-10-11/h1,4,6,10H,2-3,5,7-9H2,(H,15,18)
InChIKeyNCGSTBZSFCHECQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.82
Rot. Bonds5

About N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 2225136) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
PubChem CID2225136
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cccnc1
InChIInChI=1S/C13H17N3O2/c17-12-5-2-8-16(12)9-3-7-15-13(18)11-4-1-6-14-10-11/h1,4,6,10H,2-3,5,7-9H2,(H,15,18)
InChIKeyNCGSTBZSFCHECQ-UHFFFAOYSA-N
XLogP0.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide (CID 2225136) is N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide is O=C(NCCCN1CCCC1=O)c1cccnc1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is NCGSTBZSFCHECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-12-5-2-8-16(12)9-3-7-15-13(18)11-4-1-6-14-10-11/h1,4,6,10H,2-3,5,7-9H2,(H,15,18).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 2225136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).