4-[2-(dimethylamino)-4-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]benzamide

C23H24N6O2 — CID 92616119

IUPAC4-[2-(dimethylamino)-4-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]benzamide
SMILESCN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2C(=O)c2ccccn2)n1
InChIInChI=1S/C23H24N6O2/c1-28(2)23-26-14-17(15-8-10-16(11-9-15)21(24)30)20(27-23)19-7-5-13-29(19)22(31)18-6-3-4-12-25-18/h3-4,6,8-12,14,19H,5,7,13H2,1-2H3,(H2,24,30)/t19-/m1/s1
InChIKeyGBKCLSNGXQEASY-LJQANCHMSA-N
MW416.49 g/mol
LogP2.68
Rot. Bonds5

About 4-[2-(dimethylamino)-4-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]benzamide

4-[2-(dimethylamino)-4-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]benzamide (PubChem CID 92616119) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-4-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)-4-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]benzamide
PubChem CID92616119
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name4-[2-(dimethylamino)-4-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]benzamide
SMILESCN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2C(=O)c2ccccn2)n1
InChIInChI=1S/C23H24N6O2/c1-28(2)23-26-14-17(15-8-10-16(11-9-15)21(24)30)20(27-23)19-7-5-13-29(19)22(31)18-6-3-4-12-25-18/h3-4,6,8-12,14,19H,5,7,13H2,1-2H3,(H2,24,30)/t19-/m1/s1
InChIKeyGBKCLSNGXQEASY-LJQANCHMSA-N
XLogP2.68
TPSA105.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(dimethylamino)-4-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]benzamide 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 4-[2-(dimethylamino)-4-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]benzamide?
The IUPAC name of 4-[2-(dimethylamino)-4-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]benzamide (CID 92616119) is 4-[2-(dimethylamino)-4-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-[2-(dimethylamino)-4-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-[2-(dimethylamino)-4-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]benzamide is CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2C(=O)c2ccccn2)n1.
What is the InChIKey of 4-[2-(dimethylamino)-4-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]benzamide?
The InChIKey is GBKCLSNGXQEASY-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-28(2)23-26-14-17(15-8-10-16(11-9-15)21(24)30)20(27-23)19-7-5-13-29(19)22(31)18-6-3-4-12-25-18/h3-4,6,8-12,14,19H,5,7,13H2,1-2H3,(H2,24,30)/t19-/m1/s1.
What are the key properties of 4-[2-(dimethylamino)-4-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]benzamide?
4-[2-(dimethylamino)-4-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]benzamide has a molecular weight of 416.49 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-4-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 92616119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).