6-ethyl-5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one

C14H20N2O2 — CID 125483849

IUPAC6-ethyl-5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2C)cc1C
InChIInChI=1S/C14H20N2O2/c1-4-12-9(2)8-11(13(17)15-12)14(18)16-7-5-6-10(16)3/h8,10H,4-7H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyQCRJHWSJBCXHEC-JTQLQIEISA-N
MW248.33 g/mol
LogP1.87
Rot. Bonds2

About 6-ethyl-5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one

6-ethyl-5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 125483849) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-ethyl-5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-ethyl-5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID125483849
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-ethyl-5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2C)cc1C
InChIInChI=1S/C14H20N2O2/c1-4-12-9(2)8-11(13(17)15-12)14(18)16-7-5-6-10(16)3/h8,10H,4-7H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyQCRJHWSJBCXHEC-JTQLQIEISA-N
XLogP1.87
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-6-propyl-1H-pyridin-2-one
CID 125483837
6-ethyl-5-methyl-3-[3-(1-methylimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 154780104
5,6-dimethyl-3-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 97122691
(2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 172913966
[2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 62510499
(2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
CID 114917342
(5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 95732304
(4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 167312115
3-chloro-2-methyl-5-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-4-one
CID 166284324
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
(5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 65308017
2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 70740218

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-ethyl-5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 125483849) is 6-ethyl-5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-ethyl-5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-ethyl-5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one is CCc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2C)cc1C.
What is the InChIKey of 6-ethyl-5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is QCRJHWSJBCXHEC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-12-9(2)8-11(13(17)15-12)14(18)16-7-5-6-10(16)3/h8,10H,4-7H2,1-3H3,(H,15,17)/t10-/m0/s1.
What are the key properties of 6-ethyl-5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one?
6-ethyl-5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 125483849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).