N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-(furan-2-yl)-3-methyl-N-pentyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C25H30N6O5 — CID 43041124

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-(furan-2-yl)-3-methyl-N-pentyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-(furan-2-yl)-3-methyl-N-pentyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 43041124) has the molecular formula C25H30N6O5 and a molecular weight of 494.55 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-(furan-2-yl)-3-methyl-N-pentyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-(furan-2-yl)-3-methyl-N-pentyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 43041124
• Molecular Formula: C25H30N6O5
• Molecular Weight: 494.55 g/mol
• Exact Mass: 494.23
• IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-(furan-2-yl)-3-methyl-N-pentyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CCCCCN(C(=O)c1cc(-c2ccco2)nc2onc(C)c12)c1c(N)n(CCCC)c(=O)[nH]c1=O
• InChI: InChI=1S/C25H30N6O5/c1-4-6-8-12-30(20-21(26)31(11-7-5-2)25(34)28-22(20)32)24(33)16-14-17(18-10-9-13-35-18)27-23-19(16)15(3)29-36-23/h9-10,13-14H,4-8,11-12,26H2,1-3H3,(H,28,32,34)
• InChIKey: GPZFTKLDTNROIT-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 153.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.55
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-(furan-2-yl)-3-methyl-N-pentyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-(furan-2-yl)-3-methyl-N-pentyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 43041124) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-(furan-2-yl)-3-methyl-N-pentyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-(furan-2-yl)-3-methyl-N-pentyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-(furan-2-yl)-3-methyl-N-pentyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCCCCN(C(=O)c1cc(-c2ccco2)nc2onc(C)c12)c1c(N)n(CCCC)c(=O)[nH]c1=O.

What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-(furan-2-yl)-3-methyl-N-pentyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is GPZFTKLDTNROIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O5/c1-4-6-8-12-30(20-21(26)31(11-7-5-2)25(34)28-22(20)32)24(33)16-14-17(18-10-9-13-35-18)27-23-19(16)15(3)29-36-23/h9-10,13-14H,4-8,11-12,26H2,1-3H3,(H,28,32,34).

What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-(furan-2-yl)-3-methyl-N-pentyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-(furan-2-yl)-3-methyl-N-pentyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 494.55 g/mol, XLogP of 3.86, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-(furan-2-yl)-3-methyl-N-pentyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 43041124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).