5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide

C12H15N3O2 — CID 110743906

IUPAC5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCC(=O)N1)c1ccccn1
InChIInChI=1S/C12H15N3O2/c1-8(9-4-2-3-7-13-9)14-12(17)10-5-6-11(16)15-10/h2-4,7-8,10H,5-6H2,1H3,(H,14,17)(H,15,16)
InChIKeyVEZUKDZAVBICOI-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.54
Rot. Bonds3

About 5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide

5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 110743906) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
PubChem CID110743906
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCC(=O)N1)c1ccccn1
InChIInChI=1S/C12H15N3O2/c1-8(9-4-2-3-7-13-9)14-12(17)10-5-6-11(16)15-10/h2-4,7-8,10H,5-6H2,1H3,(H,14,17)(H,15,16)
InChIKeyVEZUKDZAVBICOI-UHFFFAOYSA-N
XLogP0.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide
CID 107433872
(2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 103813258
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
(2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide
CID 125140349
(2R)-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide
CID 125140347
(2S)-5-oxo-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 95133563
(2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-7-oxoazepane-2-carboxamide
CID 125140399
N-[(1S)-1-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 81407011
5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one
CID 107529769
(2S)-N-[1-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 67162995
(3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 81407106
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide (CID 110743906) is 5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide is CC(NC(=O)C1CCC(=O)N1)c1ccccn1.
What is the InChIKey of 5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is VEZUKDZAVBICOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(9-4-2-3-7-13-9)14-12(17)10-5-6-11(16)15-10/h2-4,7-8,10H,5-6H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110743906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).