5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide

C12H15N3O2 — CID 110743910

IUPAC5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCC(=O)N1)c1cccnc1
InChIInChI=1S/C12H15N3O2/c1-8(9-3-2-6-13-7-9)14-12(17)10-4-5-11(16)15-10/h2-3,6-8,10H,4-5H2,1H3,(H,14,17)(H,15,16)
InChIKeyVDVGCWIJMQLSJI-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.54
Rot. Bonds3

About 5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide

5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 110743910) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
PubChem CID110743910
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCC(=O)N1)c1cccnc1
InChIInChI=1S/C12H15N3O2/c1-8(9-3-2-6-13-7-9)14-12(17)10-4-5-11(16)15-10/h2-3,6-8,10H,4-5H2,1H3,(H,14,17)(H,15,16)
InChIKeyVDVGCWIJMQLSJI-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

(2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119998811
(2R)-5-oxo-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 95335645
4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404724
N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 81405077
(3R)-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
CID 81404831
2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918472
3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119863798
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404734
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124674627
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 104919786

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide (CID 110743910) is 5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide is CC(NC(=O)C1CCC(=O)N1)c1cccnc1.
What is the InChIKey of 5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is VDVGCWIJMQLSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(9-3-2-6-13-7-9)14-12(17)10-4-5-11(16)15-10/h2-3,6-8,10H,4-5H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide?
5-oxo-N-(1-pyridin-3-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-3-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110743910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).