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

C22H26N6O3 — CID 30885393

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

1,3-dimethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 30885393) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 1,3-dimethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 30885393
• Molecular Formula: C22H26N6O3
• Molecular Weight: 422.49 g/mol
• Exact Mass: 422.21
• IUPAC Name: 1,3-dimethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
• SMILES: Cn1c(=O)c2cc(C(=O)NCCN3CCN(c4ccccc4)CC3)cnc2n(C)c1=O
• InChI: InChI=1S/C22H26N6O3/c1-25-19-18(21(30)26(2)22(25)31)14-16(15-24-19)20(29)23-8-9-27-10-12-28(13-11-27)17-6-4-3-5-7-17/h3-7,14-15H,8-13H2,1-2H3,(H,23,29)
• InChIKey: HZVSXACUEHMDPR-UHFFFAOYSA-N
• XLogP: 0.18
• TPSA: 92.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.49
LogP ≤ 5	0.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide (CID 30885393) is 1,3-dimethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide.

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

The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)c2cc(C(=O)NCCN3CCN(c4ccccc4)CC3)cnc2n(C)c1=O.

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

The InChIKey is HZVSXACUEHMDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-25-19-18(21(30)26(2)22(25)31)14-16(15-24-19)20(29)23-8-9-27-10-12-28(13-11-27)17-6-4-3-5-7-17/h3-7,14-15H,8-13H2,1-2H3,(H,23,29).

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

1,3-dimethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 30885393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).