1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C12H15N3O2 — CID 168696816

IUPAC1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cnc(N2CC(C(N)=O)CC2=O)c(C)c1
InChIInChI=1S/C12H15N3O2/c1-7-3-8(2)12(14-5-7)15-6-9(11(13)17)4-10(15)16/h3,5,9H,4,6H2,1-2H3,(H2,13,17)
InChIKeyYCFOAWANBLHJKI-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.54
Rot. Bonds2

About 1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696816) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168696816
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cnc(N2CC(C(N)=O)CC2=O)c(C)c1
InChIInChI=1S/C12H15N3O2/c1-7-3-8(2)12(14-5-7)15-6-9(11(13)17)4-10(15)16/h3,5,9H,4,6H2,1-2H3,(H2,13,17)
InChIKeyYCFOAWANBLHJKI-UHFFFAOYSA-N
XLogP0.54
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662656
1-(3,5-dichloro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698108
1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698071
1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696812
1-(6-methoxy-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696979
4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one
CID 168504473
1-(5-bromo-3-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697582
1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697511
1-(3-amino-6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696888
1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 168698103
1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698124
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696905

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 168696816) is 1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is Cc1cnc(N2CC(C(N)=O)CC2=O)c(C)c1.
What is the InChIKey of 1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YCFOAWANBLHJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-3-8(2)12(14-5-7)15-6-9(11(13)17)4-10(15)16/h3,5,9H,4,6H2,1-2H3,(H2,13,17).
What are the key properties of 1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).