6-ethyl-5-methyl-3-[3-(1-methylimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C17H22N4O2 — CID 154780104

IUPAC6-ethyl-5-methyl-3-[3-(1-methylimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(C(=O)N2CCC(c3nccn3C)C2)cc1C
InChIInChI=1S/C17H22N4O2/c1-4-14-11(2)9-13(16(22)19-14)17(23)21-7-5-12(10-21)15-18-6-8-20(15)3/h6,8-9,12H,4-5,7,10H2,1-3H3,(H,19,22)
InChIKeyVHROQBHRSWLGGG-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.61
Rot. Bonds3

About 6-ethyl-5-methyl-3-[3-(1-methylimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

6-ethyl-5-methyl-3-[3-(1-methylimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 154780104) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-ethyl-5-methyl-3-[3-(1-methylimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-ethyl-5-methyl-3-[3-(1-methylimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID154780104
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name6-ethyl-5-methyl-3-[3-(1-methylimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(C(=O)N2CCC(c3nccn3C)C2)cc1C
InChIInChI=1S/C17H22N4O2/c1-4-14-11(2)9-13(16(22)19-14)17(23)21-7-5-12(10-21)15-18-6-8-20(15)3/h6,8-9,12H,4-5,7,10H2,1-3H3,(H,19,22)
InChIKeyVHROQBHRSWLGGG-UHFFFAOYSA-N
XLogP1.61
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-5-methyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 167845537
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CID 70710948
3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 97276988
5,6-dimethyl-3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124951395
3-[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
CID 124960618
6-ethyl-1,5-dimethyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 77096988
5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 72897928
6-ethyl-5-methyl-3-[(3S)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 92588428
1-methyl-5-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 97282923
5-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 72912139
6-ethyl-1,5-dimethyl-3-[4-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 72881709
(2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-3-[3-(1-methylimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-ethyl-5-methyl-3-[3-(1-methylimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 154780104) is 6-ethyl-5-methyl-3-[3-(1-methylimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-ethyl-5-methyl-3-[3-(1-methylimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-ethyl-5-methyl-3-[3-(1-methylimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is CCc1[nH]c(=O)c(C(=O)N2CCC(c3nccn3C)C2)cc1C.
What is the InChIKey of 6-ethyl-5-methyl-3-[3-(1-methylimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is VHROQBHRSWLGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-14-11(2)9-13(16(22)19-14)17(23)21-7-5-12(10-21)15-18-6-8-20(15)3/h6,8-9,12H,4-5,7,10H2,1-3H3,(H,19,22).
What are the key properties of 6-ethyl-5-methyl-3-[3-(1-methylimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
6-ethyl-5-methyl-3-[3-(1-methylimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 314.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-3-[3-(1-methylimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 154780104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).