3-amino-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one

C12H17N3O2 — CID 97181448

IUPAC3-amino-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
SMILESCc1ccc(N)c(=O)n1CC(=O)N1CCCC1
InChIInChI=1S/C12H17N3O2/c1-9-4-5-10(13)12(17)15(9)8-11(16)14-6-2-3-7-14/h4-5H,2-3,6-8,13H2,1H3
InChIKeyKLENTVMYUIEFNI-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.36
Rot. Bonds2

About 3-amino-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one

3-amino-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one (PubChem CID 97181448) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
PubChem CID97181448
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-amino-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
SMILESCc1ccc(N)c(=O)n1CC(=O)N1CCCC1
InChIInChI=1S/C12H17N3O2/c1-9-4-5-10(13)12(17)15(9)8-11(16)14-6-2-3-7-14/h4-5H,2-3,6-8,13H2,1H3
InChIKeyKLENTVMYUIEFNI-UHFFFAOYSA-N
XLogP0.36
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
CID 63800611
2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
CID 97181440
N-[1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]benzamide
CID 87050503
2-(2-amino-5-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 99991735
4-methyl-N-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3-pyridinyl]benzenesulfonamide
CID 87050646
4-[2-(azepan-1-yl)-2-oxoethyl]-1H-quinoxaline-2,3-dione
CID 113195604
4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinolin-2-one
CID 39768041
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935
2-(2-amino-5-hydroxyphenyl)-1-piperidin-1-ylethanone
CID 69337142
2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-1-pyrrolidin-1-ylethanone
CID 9145896
4-methyl-N-[6-methyl-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide
CID 95100121
2-(2-amino-5-methylphenyl)sulfanyl-1-(azepan-1-yl)ethanone
CID 79142739

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one?
The IUPAC name of 3-amino-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one (CID 97181448) is 3-amino-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one?
The canonical SMILES for 3-amino-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one is Cc1ccc(N)c(=O)n1CC(=O)N1CCCC1.
What is the InChIKey of 3-amino-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one?
The InChIKey is KLENTVMYUIEFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-4-5-10(13)12(17)15(9)8-11(16)14-6-2-3-7-14/h4-5H,2-3,6-8,13H2,1H3.
What are the key properties of 3-amino-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one?
3-amino-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one is sourced from PubChem (CID 97181448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).