3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxamide

C12H15N3O3 — CID 114082421

IUPAC3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(C(=O)c2cccc(=O)[nH]2)C1
InChIInChI=1S/C12H15N3O3/c1-12(11(13)18)5-6-15(7-12)10(17)8-3-2-4-9(16)14-8/h2-4H,5-7H2,1H3,(H2,13,18)(H,14,16)
InChIKeyJXYBKCYHYZFWNX-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.29
Rot. Bonds2

About 3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxamide

3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 114082421) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxamide
PubChem CID114082421
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(C(=O)c2cccc(=O)[nH]2)C1
InChIInChI=1S/C12H15N3O3/c1-12(11(13)18)5-6-15(7-12)10(17)8-3-2-4-9(16)14-8/h2-4H,5-7H2,1H3,(H2,13,18)(H,14,16)
InChIKeyJXYBKCYHYZFWNX-UHFFFAOYSA-N
XLogP-0.29
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 114040074
1-(5-cyano-1H-pyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxamide
CID 136539136
6-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyridin-2-one
CID 50951821
1-(2-iodobenzoyl)-3-methylpyrrolidine-3-carboxamide
CID 114082011
2-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 107261816
6-(morpholine-4-carbonyl)-1H-pyridin-2-one
CID 107261416
1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-methylpyrrolidine-3-carboxamide
CID 119037107
6-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 107261752
6-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyridin-2-one
CID 106316330
3-methyl-1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)pyrrolidine-3-carboxamide
CID 114082419
6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 107262059
6-(2,6-dimethylthiomorpholine-4-carbonyl)-1H-pyridin-2-one
CID 114040378

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxamide (CID 114082421) is 3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxamide is CC1(C(N)=O)CCN(C(=O)c2cccc(=O)[nH]2)C1.
What is the InChIKey of 3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is JXYBKCYHYZFWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-12(11(13)18)5-6-15(7-12)10(17)8-3-2-4-9(16)14-8/h2-4H,5-7H2,1H3,(H2,13,18)(H,14,16).
What are the key properties of 3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxamide?
3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 249.27 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 114082421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).