3-chloro-2-methyl-5-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-4-one

C12H15ClN2O2 — CID 166284324

IUPAC3-chloro-2-methyl-5-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-4-one
SMILESCc1[nH]cc(C(=O)N2CCC[C@@H]2C)c(=O)c1Cl
InChIInChI=1S/C12H15ClN2O2/c1-7-4-3-5-15(7)12(17)9-6-14-8(2)10(13)11(9)16/h6-7H,3-5H2,1-2H3,(H,14,16)/t7-/m0/s1
InChIKeyOGKBXLZAGUNXKP-ZETCQYMHSA-N
MW254.72 g/mol
LogP1.96
Rot. Bonds1

About 3-chloro-2-methyl-5-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-4-one

3-chloro-2-methyl-5-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-4-one (PubChem CID 166284324) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-chloro-2-methyl-5-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-chloro-2-methyl-5-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-4-one
PubChem CID166284324
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-chloro-2-methyl-5-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-4-one
SMILESCc1[nH]cc(C(=O)N2CCC[C@@H]2C)c(=O)c1Cl
InChIInChI=1S/C12H15ClN2O2/c1-7-4-3-5-15(7)12(17)9-6-14-8(2)10(13)11(9)16/h6-7H,3-5H2,1-2H3,(H,14,16)/t7-/m0/s1
InChIKeyOGKBXLZAGUNXKP-ZETCQYMHSA-N
XLogP1.96
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 24885199
(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 61146717
(4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 60975104
(6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 97458045
(2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
CID 114917342
5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-6-propyl-1H-pyridin-2-one
CID 125483837
2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388192
6-ethyl-5-methyl-3-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 125483849
(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119781055
[(2S)-2-methylpiperidin-1-yl]-(3,4,5-trichlorophenyl)methanone
CID 94861975
2-chloro-5,6-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388382
(5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 63116363

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-5-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-4-one?
The IUPAC name of 3-chloro-2-methyl-5-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-4-one (CID 166284324) is 3-chloro-2-methyl-5-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-chloro-2-methyl-5-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-4-one?
The canonical SMILES for 3-chloro-2-methyl-5-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-4-one is Cc1[nH]cc(C(=O)N2CCC[C@@H]2C)c(=O)c1Cl.
What is the InChIKey of 3-chloro-2-methyl-5-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-4-one?
The InChIKey is OGKBXLZAGUNXKP-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-7-4-3-5-15(7)12(17)9-6-14-8(2)10(13)11(9)16/h6-7H,3-5H2,1-2H3,(H,14,16)/t7-/m0/s1.
What are the key properties of 3-chloro-2-methyl-5-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-4-one?
3-chloro-2-methyl-5-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-4-one has a molecular weight of 254.72 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-5-[(2S)-2-methylpyrrolidine-1-carbonyl]-1H-pyridin-4-one is sourced from PubChem (CID 166284324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).