(3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide

C15H21N3O2 — CID 97112567

IUPAC(3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)NCCCc2ccccn2)CC1=O
InChIInChI=1S/C15H21N3O2/c1-2-18-11-12(10-14(18)19)15(20)17-9-5-7-13-6-3-4-8-16-13/h3-4,6,8,12H,2,5,7,9-11H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyBXAILOWQVDKRKM-LBPRGKRZSA-N
MW275.35 g/mol
LogP1.00
Rot. Bonds6

About (3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide

(3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide (PubChem CID 97112567) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
PubChem CID97112567
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)NCCCc2ccccn2)CC1=O
InChIInChI=1S/C15H21N3O2/c1-2-18-11-12(10-14(18)19)15(20)17-9-5-7-13-6-3-4-8-16-13/h3-4,6,8,12H,2,5,7,9-11H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyBXAILOWQVDKRKM-LBPRGKRZSA-N
XLogP1.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-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

Related Compounds

6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45212022
1-(cyclohexylmethyl)-6-oxo-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45188915
(3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 94125432
(3S)-N-[3-(4-methylpyrazol-1-yl)propyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97279039
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 72875578
(3S)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97270697
(3S)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94149499
(3S)-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97269177
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 46172075
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113183926
1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
CID 154817834
1-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 72916628

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide (CID 97112567) is (3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide is CCN1C[C@@H](C(=O)NCCCc2ccccn2)CC1=O.
What is the InChIKey of (3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is BXAILOWQVDKRKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-18-11-12(10-14(18)19)15(20)17-9-5-7-13-6-3-4-8-16-13/h3-4,6,8,12H,2,5,7,9-11H2,1H3,(H,17,20)/t12-/m0/s1.
What are the key properties of (3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide?
(3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97112567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).