N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide

C28H27N3O4 — CID 45231173

About N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide

N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide (PubChem CID 45231173) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide
• PubChem CID: 45231173
• Molecular Formula: C28H27N3O4
• Molecular Weight: 469.54 g/mol
• Exact Mass: 469.20
• IUPAC Name: N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide
• SMILES: COC(C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cc3ccccc3o1)C2)c1ccccc1
• InChI: InChI=1S/C28H27N3O4/c1-18-23(16-30-27(32)26(34-2)19-8-4-3-5-9-19)22-12-13-31(17-21(22)15-29-18)28(33)25-14-20-10-6-7-11-24(20)35-25/h3-11,14-15,26H,12-13,16-17H2,1-2H3,(H,30,32)
• InChIKey: GVRBRVIPNZIYSQ-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 84.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.54
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide?

The IUPAC name of N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide (CID 45231173) is N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide.

What is the SMILES notation for N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide?

The canonical SMILES for N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide is COC(C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cc3ccccc3o1)C2)c1ccccc1.

What is the InChIKey of N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide?

The InChIKey is GVRBRVIPNZIYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-18-23(16-30-27(32)26(34-2)19-8-4-3-5-9-19)22-12-13-31(17-21(22)15-29-18)28(33)25-14-20-10-6-7-11-24(20)35-25/h3-11,14-15,26H,12-13,16-17H2,1-2H3,(H,30,32).

What are the key properties of N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide?

N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide has a molecular weight of 469.54 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 45231173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).