[3-[(5-methoxy-2-pyridinyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(6-prop-2-enoxy-3-pyridinyl)methanone

C24H24N4O4 — CID 158139167

About [3-[(5-methoxy-2-pyridinyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(6-prop-2-enoxy-3-pyridinyl)methanone

[3-[(5-methoxy-2-pyridinyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(6-prop-2-enoxy-3-pyridinyl)methanone (PubChem CID 158139167) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is [3-[(5-methoxy-2-pyridinyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(6-prop-2-enoxy-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [3-[(5-methoxy-2-pyridinyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(6-prop-2-enoxy-3-pyridinyl)methanone
• PubChem CID: 158139167
• Molecular Formula: C24H24N4O4
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.18
• IUPAC Name: [3-[(5-methoxy-2-pyridinyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(6-prop-2-enoxy-3-pyridinyl)methanone
• SMILES: C=CCOc1ccc(C(=O)N2CCc3ncc(OCc4ccc(OC)cn4)cc3C2)cn1
• InChI: InChI=1S/C24H24N4O4/c1-3-10-31-23-7-4-17(12-27-23)24(29)28-9-8-22-18(15-28)11-21(14-26-22)32-16-19-5-6-20(30-2)13-25-19/h3-7,11-14H,1,8-10,15-16H2,2H3
• InChIKey: FTSOOQMXJWCXRX-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 86.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[(5-methoxy-2-pyridinyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(6-prop-2-enoxy-3-pyridinyl)methanone?

The IUPAC name of [3-[(5-methoxy-2-pyridinyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(6-prop-2-enoxy-3-pyridinyl)methanone (CID 158139167) is [3-[(5-methoxy-2-pyridinyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(6-prop-2-enoxy-3-pyridinyl)methanone.

What is the SMILES notation for [3-[(5-methoxy-2-pyridinyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(6-prop-2-enoxy-3-pyridinyl)methanone?

The canonical SMILES for [3-[(5-methoxy-2-pyridinyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(6-prop-2-enoxy-3-pyridinyl)methanone is C=CCOc1ccc(C(=O)N2CCc3ncc(OCc4ccc(OC)cn4)cc3C2)cn1.

What is the InChIKey of [3-[(5-methoxy-2-pyridinyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(6-prop-2-enoxy-3-pyridinyl)methanone?

The InChIKey is FTSOOQMXJWCXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-3-10-31-23-7-4-17(12-27-23)24(29)28-9-8-22-18(15-28)11-21(14-26-22)32-16-19-5-6-20(30-2)13-25-19/h3-7,11-14H,1,8-10,15-16H2,2H3.

What are the key properties of [3-[(5-methoxy-2-pyridinyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(6-prop-2-enoxy-3-pyridinyl)methanone?

[3-[(5-methoxy-2-pyridinyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(6-prop-2-enoxy-3-pyridinyl)methanone has a molecular weight of 432.48 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(5-methoxy-2-pyridinyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(6-prop-2-enoxy-3-pyridinyl)methanone is sourced from PubChem (CID 158139167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).