1-(6-methoxy-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C12H15N3O3 — CID 168696979

IUPAC1-(6-methoxy-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(C)c(N2CC(C(N)=O)CC2=O)cn1
InChIInChI=1S/C12H15N3O3/c1-7-3-10(18-2)14-5-9(7)15-6-8(12(13)17)4-11(15)16/h3,5,8H,4,6H2,1-2H3,(H2,13,17)
InChIKeyFJQRUFWOTDGURY-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.24
Rot. Bonds3

About 1-(6-methoxy-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide

1-(6-methoxy-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696979) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(6-methoxy-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-methoxy-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168696979
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-(6-methoxy-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(C)c(N2CC(C(N)=O)CC2=O)cn1
InChIInChI=1S/C12H15N3O3/c1-7-3-10(18-2)14-5-9(7)15-6-8(12(13)17)4-11(15)16/h3,5,8H,4,6H2,1-2H3,(H2,13,17)
InChIKeyFJQRUFWOTDGURY-UHFFFAOYSA-N
XLogP0.24
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-1-(6-methoxy-4-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168504650
methyl 1-(6-bromo-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693835
1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696816
1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696812
1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696708
methyl 1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693863
1-(4-amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696634
4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-methylbenzoic acid
CID 168696744
methyl 5-bromo-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168696387
1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696695
(3S)-1-(4-chloro-2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94075985
1-(5-carbamoyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50873701

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-methoxy-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 168696979) is 1-(6-methoxy-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-methoxy-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-methoxy-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide is COc1cc(C)c(N2CC(C(N)=O)CC2=O)cn1.
What is the InChIKey of 1-(6-methoxy-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FJQRUFWOTDGURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7-3-10(18-2)14-5-9(7)15-6-8(12(13)17)4-11(15)16/h3,5,8H,4,6H2,1-2H3,(H2,13,17).
What are the key properties of 1-(6-methoxy-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
1-(6-methoxy-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).