1-ethyl-N-(furan-2-ylmethyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

C18H20N4O4 — CID 39266426

About 1-ethyl-N-(furan-2-ylmethyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

1-ethyl-N-(furan-2-ylmethyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 39266426) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-ethyl-N-(furan-2-ylmethyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-(furan-2-ylmethyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 39266426
• Molecular Formula: C18H20N4O4
• Molecular Weight: 356.38 g/mol
• Exact Mass: 356.15
• IUPAC Name: 1-ethyl-N-(furan-2-ylmethyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
• SMILES: CCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccco3)cc(C(C)C)nc21
• InChI: InChI=1S/C18H20N4O4/c1-4-22-15-14(17(24)21-18(22)25)12(8-13(20-15)10(2)3)16(23)19-9-11-6-5-7-26-11/h5-8,10H,4,9H2,1-3H3,(H,19,23)(H,21,24,25)
• InChIKey: BQBFTNTVWKUSHM-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 109.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.38
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 39266426) is 1-ethyl-N-(furan-2-ylmethyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for 1-ethyl-N-(furan-2-ylmethyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for 1-ethyl-N-(furan-2-ylmethyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is CCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccco3)cc(C(C)C)nc21.

What is the InChIKey of 1-ethyl-N-(furan-2-ylmethyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is BQBFTNTVWKUSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-4-22-15-14(17(24)21-18(22)25)12(8-13(20-15)10(2)3)16(23)19-9-11-6-5-7-26-11/h5-8,10H,4,9H2,1-3H3,(H,19,23)(H,21,24,25).

What are the key properties of 1-ethyl-N-(furan-2-ylmethyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?

1-ethyl-N-(furan-2-ylmethyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-(furan-2-ylmethyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 39266426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).