5-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

C18H22N4O2 — CID 118740185

IUPAC5-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCN(C)c1cc(C2CCCN2C(=O)c2ccc(=O)n(C)c2)ccn1
InChIInChI=1S/C18H22N4O2/c1-20(2)16-11-13(8-9-19-16)15-5-4-10-22(15)18(24)14-6-7-17(23)21(3)12-14/h6-9,11-12,15H,4-5,10H2,1-3H3
InChIKeyALLMSCSAYIGUPH-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.82
Rot. Bonds3

About 5-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

5-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 118740185) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID118740185
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCN(C)c1cc(C2CCCN2C(=O)c2ccc(=O)n(C)c2)ccn1
InChIInChI=1S/C18H22N4O2/c1-20(2)16-11-13(8-9-19-16)15-5-4-10-22(15)18(24)14-6-7-17(23)21(3)12-14/h6-9,11-12,15H,4-5,10H2,1-3H3
InChIKeyALLMSCSAYIGUPH-UHFFFAOYSA-N
XLogP1.82
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (CID 118740185) is 5-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is CN(C)c1cc(C2CCCN2C(=O)c2ccc(=O)n(C)c2)ccn1.
What is the InChIKey of 5-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is ALLMSCSAYIGUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-20(2)16-11-13(8-9-19-16)15-5-4-10-22(15)18(24)14-6-7-17(23)21(3)12-14/h6-9,11-12,15H,4-5,10H2,1-3H3.
What are the key properties of 5-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
5-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 326.40 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 118740185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).