4-[[7-(3-methoxy-4-pentan-3-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one

C25H29N3O4 — CID 77444747

About 4-[[7-(3-methoxy-4-pentan-3-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one

4-[[7-(3-methoxy-4-pentan-3-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 77444747) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 4-[[7-(3-methoxy-4-pentan-3-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-[[7-(3-methoxy-4-pentan-3-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
• PubChem CID: 77444747
• Molecular Formula: C25H29N3O4
• Molecular Weight: 435.52 g/mol
• Exact Mass: 435.22
• IUPAC Name: 4-[[7-(3-methoxy-4-pentan-3-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
• SMILES: CCC(CC)Oc1ccc(-c2cc3ncccc3c(OCC3CNC(=O)C3)n2)cc1OC
• InChI: InChI=1S/C25H29N3O4/c1-4-18(5-2)32-22-9-8-17(12-23(22)30-3)20-13-21-19(7-6-10-26-21)25(28-20)31-15-16-11-24(29)27-14-16/h6-10,12-13,16,18H,4-5,11,14-15H2,1-3H3,(H,27,29)
• InChIKey: VCYOYUKIBGUBIJ-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 82.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.52
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(3-methoxy-4-pentan-3-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?

The IUPAC name of 4-[[7-(3-methoxy-4-pentan-3-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (CID 77444747) is 4-[[7-(3-methoxy-4-pentan-3-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one.

What is the SMILES notation for 4-[[7-(3-methoxy-4-pentan-3-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?

The canonical SMILES for 4-[[7-(3-methoxy-4-pentan-3-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one is CCC(CC)Oc1ccc(-c2cc3ncccc3c(OCC3CNC(=O)C3)n2)cc1OC.

What is the InChIKey of 4-[[7-(3-methoxy-4-pentan-3-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?

The InChIKey is VCYOYUKIBGUBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-4-18(5-2)32-22-9-8-17(12-23(22)30-3)20-13-21-19(7-6-10-26-21)25(28-20)31-15-16-11-24(29)27-14-16/h6-10,12-13,16,18H,4-5,11,14-15H2,1-3H3,(H,27,29).

What are the key properties of 4-[[7-(3-methoxy-4-pentan-3-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?

4-[[7-(3-methoxy-4-pentan-3-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 435.52 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[7-(3-methoxy-4-pentan-3-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 77444747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).