N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C28H32N4O5 — CID 166635139

About N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 166635139) has the molecular formula C28H32N4O5 and a molecular weight of 504.59 g/mol. Its IUPAC name is N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 166635139
• Molecular Formula: C28H32N4O5
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.24
• IUPAC Name: N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COc1cc(CCc2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)cc2OC(C)C)cc(OC)c1
• InChI: InChI=1S/C28H32N4O5/c1-18(2)37-25-15-26(29-16-21(25)8-7-19-12-23(35-3)14-24(13-19)36-4)31-28(34)32-11-5-6-20-9-10-22(17-33)30-27(20)32/h9-10,12-18H,5-8,11H2,1-4H3,(H,29,31,34)
• InChIKey: IJMRXUCDOJIYNC-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 102.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 166635139) is N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COc1cc(CCc2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)cc2OC(C)C)cc(OC)c1.

What is the InChIKey of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is IJMRXUCDOJIYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5/c1-18(2)37-25-15-26(29-16-21(25)8-7-19-12-23(35-3)14-24(13-19)36-4)31-28(34)32-11-5-6-20-9-10-22(17-33)30-27(20)32/h9-10,12-18H,5-8,11H2,1-4H3,(H,29,31,34).

What are the key properties of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 166635139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).