N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide

C28H27N5O4 — CID 53096954

About N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide

N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide (PubChem CID 53096954) has the molecular formula C28H27N5O4 and a molecular weight of 497.56 g/mol. Its IUPAC name is N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
• PubChem CID: 53096954
• Molecular Formula: C28H27N5O4
• Molecular Weight: 497.56 g/mol
• Exact Mass: 497.21
• IUPAC Name: N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
• SMILES: Cc1cc(C(=O)N2CCCC2)c2c(=O)n(CC(=O)NCc3ccccc3)c(=O)n(-c3ccccc3)c2n1
• InChI: InChI=1S/C28H27N5O4/c1-19-16-22(26(35)31-14-8-9-15-31)24-25(30-19)33(21-12-6-3-7-13-21)28(37)32(27(24)36)18-23(34)29-17-20-10-4-2-5-11-20/h2-7,10-13,16H,8-9,14-15,17-18H2,1H3,(H,29,34)
• InChIKey: BKXPEELPVARSSQ-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 106.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.56
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?

The IUPAC name of N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide (CID 53096954) is N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide.

What is the SMILES notation for N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?

The canonical SMILES for N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide is Cc1cc(C(=O)N2CCCC2)c2c(=O)n(CC(=O)NCc3ccccc3)c(=O)n(-c3ccccc3)c2n1.

What is the InChIKey of N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?

The InChIKey is BKXPEELPVARSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O4/c1-19-16-22(26(35)31-14-8-9-15-31)24-25(30-19)33(21-12-6-3-7-13-21)28(37)32(27(24)36)18-23(34)29-17-20-10-4-2-5-11-20/h2-7,10-13,16H,8-9,14-15,17-18H2,1H3,(H,29,34).

What are the key properties of N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide?

N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 497.56 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 53096954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).