5-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(6-methyl-2-pyridinyl)-5-oxopentanamide

C25H26ClN5O2 — CID 110122540

IUPAC5-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(6-methyl-2-pyridinyl)-5-oxopentanamide
SMILESCc1cccc(NC(=O)CCCC(=O)N2CCCC2c2ccnc(-c3cccc(Cl)c3)n2)n1
InChIInChI=1S/C25H26ClN5O2/c1-17-6-2-10-22(28-17)30-23(32)11-4-12-24(33)31-15-5-9-21(31)20-13-14-27-25(29-20)18-7-3-8-19(26)16-18/h2-3,6-8,10,13-14,16,21H,4-5,9,11-12,15H2,1H3,(H,28,30,32)
InChIKeyOBIBJINNXUXJDW-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.97
Rot. Bonds7

About 5-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(6-methyl-2-pyridinyl)-5-oxopentanamide

5-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(6-methyl-2-pyridinyl)-5-oxopentanamide (PubChem CID 110122540) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 5-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(6-methyl-2-pyridinyl)-5-oxopentanamide.

Molecular Properties

Compound Name5-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(6-methyl-2-pyridinyl)-5-oxopentanamide
PubChem CID110122540
Molecular FormulaC25H26ClN5O2
Molecular Weight463.97 g/mol
Exact Mass463.18
IUPAC Name5-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(6-methyl-2-pyridinyl)-5-oxopentanamide
SMILESCc1cccc(NC(=O)CCCC(=O)N2CCCC2c2ccnc(-c3cccc(Cl)c3)n2)n1
InChIInChI=1S/C25H26ClN5O2/c1-17-6-2-10-22(28-17)30-23(32)11-4-12-24(33)31-15-5-9-21(31)20-13-14-27-25(29-20)18-7-3-8-19(26)16-18/h2-3,6-8,10,13-14,16,21H,4-5,9,11-12,15H2,1H3,(H,28,30,32)
InChIKeyOBIBJINNXUXJDW-UHFFFAOYSA-N
XLogP4.97
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(6-methyl-2-pyridinyl)-5-oxopentanamide with MolForge

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

Launch Full Analysis

Related Compounds

5-[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-5-oxo-N-pyridin-2-ylpentanamide
CID 125025705
1-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 110094941
1-[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-5-(2,2-dimethyl-3-oxopiperazin-1-yl)pentane-1,5-dione
CID 125025583
3-[4-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-4-oxobutyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 110122496
1-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-4-(quinazolin-4-ylamino)butan-1-one
CID 110076041
1-[(2R)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 124973857
1-[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 124973858
[(2S)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 95816109
1-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-[1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]ethanone
CID 110122438
[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 110253708
[(2R)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 125018250
[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone
CID 110122581

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(6-methyl-2-pyridinyl)-5-oxopentanamide?
The IUPAC name of 5-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(6-methyl-2-pyridinyl)-5-oxopentanamide (CID 110122540) is 5-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(6-methyl-2-pyridinyl)-5-oxopentanamide.
What is the SMILES notation for 5-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(6-methyl-2-pyridinyl)-5-oxopentanamide?
The canonical SMILES for 5-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(6-methyl-2-pyridinyl)-5-oxopentanamide is Cc1cccc(NC(=O)CCCC(=O)N2CCCC2c2ccnc(-c3cccc(Cl)c3)n2)n1.
What is the InChIKey of 5-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(6-methyl-2-pyridinyl)-5-oxopentanamide?
The InChIKey is OBIBJINNXUXJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2/c1-17-6-2-10-22(28-17)30-23(32)11-4-12-24(33)31-15-5-9-21(31)20-13-14-27-25(29-20)18-7-3-8-19(26)16-18/h2-3,6-8,10,13-14,16,21H,4-5,9,11-12,15H2,1H3,(H,28,30,32).
What are the key properties of 5-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(6-methyl-2-pyridinyl)-5-oxopentanamide?
5-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(6-methyl-2-pyridinyl)-5-oxopentanamide has a molecular weight of 463.97 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(6-methyl-2-pyridinyl)-5-oxopentanamide is sourced from PubChem (CID 110122540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).