1-cyclopropyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-6-carboxamide

C24H28N6O3 — CID 60553544

About 1-cyclopropyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-6-carboxamide

1-cyclopropyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 60553544) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 1-cyclopropyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 1-cyclopropyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 60553544
• Molecular Formula: C24H28N6O3
• Molecular Weight: 448.53 g/mol
• Exact Mass: 448.22
• IUPAC Name: 1-cyclopropyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-6-carboxamide
• SMILES: CC(CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCN(c2ccccc2)CC1
• InChI: InChI=1S/C24H28N6O3/c1-16(28-9-11-29(12-10-28)18-5-3-2-4-6-18)14-26-22(31)17-13-20-21(25-15-17)30(19-7-8-19)24(33)27-23(20)32/h2-6,13,15-16,19H,7-12,14H2,1H3,(H,26,31)(H,27,32,33)
• InChIKey: WWLKBCUJZCAYAH-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 103.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.53
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 1-cyclopropyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-6-carboxamide (CID 60553544) is 1-cyclopropyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 1-cyclopropyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 1-cyclopropyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-6-carboxamide is CC(CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCN(c2ccccc2)CC1.

What is the InChIKey of 1-cyclopropyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is WWLKBCUJZCAYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-16(28-9-11-29(12-10-28)18-5-3-2-4-6-18)14-26-22(31)17-13-20-21(25-15-17)30(19-7-8-19)24(33)27-23(20)32/h2-6,13,15-16,19H,7-12,14H2,1H3,(H,26,31)(H,27,32,33).

What are the key properties of 1-cyclopropyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-6-carboxamide?

1-cyclopropyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 60553544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).