4-amino-N-(2,5-dimethylphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide

C20H24N6O2 — CID 43854398

About 4-amino-N-(2,5-dimethylphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide

4-amino-N-(2,5-dimethylphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 43854398) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-amino-N-(2,5-dimethylphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-amino-N-(2,5-dimethylphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 43854398
• Molecular Formula: C20H24N6O2
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.20
• IUPAC Name: 4-amino-N-(2,5-dimethylphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
• SMILES: Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)nc(N)c32)c1
• InChI: InChI=1S/C20H24N6O2/c1-11-5-6-12(2)14(9-11)22-19(28)13-10-15(27)23-18-16(13)17(21)24-20(25-18)26-7-3-4-8-26/h5-6,9,13H,3-4,7-8,10H2,1-2H3,(H,22,28)(H3,21,23,24,25,27)
• InChIKey: UGWSCUMGNYELRR-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 113.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-dimethylphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of 4-amino-N-(2,5-dimethylphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (CID 43854398) is 4-amino-N-(2,5-dimethylphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for 4-amino-N-(2,5-dimethylphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for 4-amino-N-(2,5-dimethylphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4CCCC4)nc(N)c32)c1.

What is the InChIKey of 4-amino-N-(2,5-dimethylphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is UGWSCUMGNYELRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-11-5-6-12(2)14(9-11)22-19(28)13-10-15(27)23-18-16(13)17(21)24-20(25-18)26-7-3-4-8-26/h5-6,9,13H,3-4,7-8,10H2,1-2H3,(H,22,28)(H3,21,23,24,25,27).

What are the key properties of 4-amino-N-(2,5-dimethylphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?

4-amino-N-(2,5-dimethylphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-(2,5-dimethylphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 43854398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).