2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide

C13H19N3O2 — CID 83071655

IUPAC2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2ccc(=O)n(C)c2)CCCN1
InChIInChI=1S/C13H19N3O2/c1-3-13(7-4-8-14-13)12(18)15-10-5-6-11(17)16(2)9-10/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,15,18)
InChIKeyOLHKZKQLWIRTEA-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.86
Rot. Bonds3

About 2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide

2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 83071655) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID83071655
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2ccc(=O)n(C)c2)CCCN1
InChIInChI=1S/C13H19N3O2/c1-3-13(7-4-8-14-13)12(18)15-10-5-6-11(17)16(2)9-10/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,15,18)
InChIKeyOLHKZKQLWIRTEA-UHFFFAOYSA-N
XLogP0.86
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide (CID 83071655) is 2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide is CCC1(C(=O)Nc2ccc(=O)n(C)c2)CCCN1.
What is the InChIKey of 2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is OLHKZKQLWIRTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-13(7-4-8-14-13)12(18)15-10-5-6-11(17)16(2)9-10/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,15,18).
What are the key properties of 2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide?
2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83071655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).