5-[2-(3-aminopropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C13H19N3O2 — CID 114041022

IUPAC5-[2-(3-aminopropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESNCCCC1CCCN1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H19N3O2/c14-7-1-3-11-4-2-8-16(11)13(18)10-5-6-12(17)15-9-10/h5-6,9,11H,1-4,7-8,14H2,(H,15,17)
InChIKeyDZRUVIVFHBJXKP-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.72
Rot. Bonds4

About 5-[2-(3-aminopropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

5-[2-(3-aminopropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 114041022) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[2-(3-aminopropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-(3-aminopropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID114041022
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-[2-(3-aminopropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESNCCCC1CCCN1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H19N3O2/c14-7-1-3-11-4-2-8-16(11)13(18)10-5-6-12(17)15-9-10/h5-6,9,11H,1-4,7-8,14H2,(H,15,17)
InChIKeyDZRUVIVFHBJXKP-UHFFFAOYSA-N
XLogP0.72
TPSA79.19 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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 63767656
1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 43120481
[2-(3-aminopropyl)pyrrolidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 107673329
[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63766326
[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 63767479
1-(6-oxo-1H-pyridine-3-carbonyl)azepane-2-carboxylic acid
CID 64560700
5-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 55064660
[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 107726352
[2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 63765568
N-(2-aminoethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 63252564
5-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-1H-pyridin-2-one
CID 78989346
[2-(2-aminoethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 82507381

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-aminopropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[2-(3-aminopropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 114041022) is 5-[2-(3-aminopropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-(3-aminopropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[2-(3-aminopropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is NCCCC1CCCN1C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 5-[2-(3-aminopropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is DZRUVIVFHBJXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-7-1-3-11-4-2-8-16(11)13(18)10-5-6-12(17)15-9-10/h5-6,9,11H,1-4,7-8,14H2,(H,15,17).
What are the key properties of 5-[2-(3-aminopropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
5-[2-(3-aminopropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-aminopropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 114041022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).