N-[3-[benzyl(methyl)amino]propyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C22H25N5O3 — CID 37314856

About N-[3-[benzyl(methyl)amino]propyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-[3-[benzyl(methyl)amino]propyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 37314856) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[3-[benzyl(methyl)amino]propyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 37314856
• Molecular Formula: C22H25N5O3
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.20
• IUPAC Name: N-[3-[benzyl(methyl)amino]propyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
• SMILES: CN(CCCNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)Cc1ccccc1
• InChI: InChI=1S/C22H25N5O3/c1-26(14-15-6-3-2-4-7-15)11-5-10-23-20(28)16-12-18-19(24-13-16)27(17-8-9-17)22(30)25-21(18)29/h2-4,6-7,12-13,17H,5,8-11,14H2,1H3,(H,23,28)(H,25,29,30)
• InChIKey: HJJLSGFRBVCJTJ-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 100.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 37314856) is N-[3-[benzyl(methyl)amino]propyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is CN(CCCNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)Cc1ccccc1.

What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is HJJLSGFRBVCJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-26(14-15-6-3-2-4-7-15)11-5-10-23-20(28)16-12-18-19(24-13-16)27(17-8-9-17)22(30)25-21(18)29/h2-4,6-7,12-13,17H,5,8-11,14H2,1H3,(H,23,28)(H,25,29,30).

What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?

N-[3-[benzyl(methyl)amino]propyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[benzyl(methyl)amino]propyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 37314856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).