N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide

C20H24N6O5 — CID 55457481

About N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (PubChem CID 55457481) has the molecular formula C20H24N6O5 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.

Molecular Properties

• Compound Name: N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
• PubChem CID: 55457481
• Molecular Formula: C20H24N6O5
• Molecular Weight: 428.45 g/mol
• Exact Mass: 428.18
• IUPAC Name: N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
• SMILES: Cn1c(=O)c2cc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)cnc2n(C)c1=O
• InChI: InChI=1S/C20H24N6O5/c1-24-15-13(16(28)25(2)19(24)31)10-12(11-21-15)22-14(27)6-9-26-17(29)20(23-18(26)30)7-4-3-5-8-20/h10-11H,3-9H2,1-2H3,(H,22,27)(H,23,30)
• InChIKey: RNUKNXIAPYJFSH-UHFFFAOYSA-N
• XLogP: 0.22
• TPSA: 135.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.45
LogP ≤ 5	0.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?

The IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (CID 55457481) is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.

What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?

The canonical SMILES for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is Cn1c(=O)c2cc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)cnc2n(C)c1=O.

What is the InChIKey of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?

The InChIKey is RNUKNXIAPYJFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O5/c1-24-15-13(16(28)25(2)19(24)31)10-12(11-21-15)22-14(27)6-9-26-17(29)20(23-18(26)30)7-4-3-5-8-20/h10-11H,3-9H2,1-2H3,(H,22,27)(H,23,30).

What are the key properties of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide has a molecular weight of 428.45 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is sourced from PubChem (CID 55457481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).