2,4-dioxo-7-propan-2-yl-1-propyl-N-(4-pyrimidin-2-yloxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide

C24H24N6O4 — CID 55826851

About 2,4-dioxo-7-propan-2-yl-1-propyl-N-(4-pyrimidin-2-yloxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide

2,4-dioxo-7-propan-2-yl-1-propyl-N-(4-pyrimidin-2-yloxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55826851) has the molecular formula C24H24N6O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is 2,4-dioxo-7-propan-2-yl-1-propyl-N-(4-pyrimidin-2-yloxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2,4-dioxo-7-propan-2-yl-1-propyl-N-(4-pyrimidin-2-yloxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 55826851
• Molecular Formula: C24H24N6O4
• Molecular Weight: 460.49 g/mol
• Exact Mass: 460.19
• IUPAC Name: 2,4-dioxo-7-propan-2-yl-1-propyl-N-(4-pyrimidin-2-yloxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide
• SMILES: CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(Oc4ncccn4)cc3)cc(C(C)C)nc21
• InChI: InChI=1S/C24H24N6O4/c1-4-12-30-20-19(22(32)29-24(30)33)17(13-18(28-20)14(2)3)21(31)27-15-6-8-16(9-7-15)34-23-25-10-5-11-26-23/h5-11,13-14H,4,12H2,1-3H3,(H,27,31)(H,29,32,33)
• InChIKey: ILUPHQUWCRXTML-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 131.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.49
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-7-propan-2-yl-1-propyl-N-(4-pyrimidin-2-yloxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of 2,4-dioxo-7-propan-2-yl-1-propyl-N-(4-pyrimidin-2-yloxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide (CID 55826851) is 2,4-dioxo-7-propan-2-yl-1-propyl-N-(4-pyrimidin-2-yloxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for 2,4-dioxo-7-propan-2-yl-1-propyl-N-(4-pyrimidin-2-yloxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for 2,4-dioxo-7-propan-2-yl-1-propyl-N-(4-pyrimidin-2-yloxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide is CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(Oc4ncccn4)cc3)cc(C(C)C)nc21.

What is the InChIKey of 2,4-dioxo-7-propan-2-yl-1-propyl-N-(4-pyrimidin-2-yloxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is ILUPHQUWCRXTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4/c1-4-12-30-20-19(22(32)29-24(30)33)17(13-18(28-20)14(2)3)21(31)27-15-6-8-16(9-7-15)34-23-25-10-5-11-26-23/h5-11,13-14H,4,12H2,1-3H3,(H,27,31)(H,29,32,33).

What are the key properties of 2,4-dioxo-7-propan-2-yl-1-propyl-N-(4-pyrimidin-2-yloxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide?

2,4-dioxo-7-propan-2-yl-1-propyl-N-(4-pyrimidin-2-yloxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 460.49 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dioxo-7-propan-2-yl-1-propyl-N-(4-pyrimidin-2-yloxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55826851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).