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

C26H28N4O5 — CID 166629133

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

N-[5-(3,5-dimethoxyphenyl)-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 166629133) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[5-(3,5-dimethoxyphenyl)-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-(3,5-dimethoxyphenyl)-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 166629133
• Molecular Formula: C26H28N4O5
• Molecular Weight: 476.53 g/mol
• Exact Mass: 476.21
• IUPAC Name: N-[5-(3,5-dimethoxyphenyl)-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COc1cc(OC)cc(-c2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)cc2OC(C)C)c1
• InChI: InChI=1S/C26H28N4O5/c1-16(2)35-23-13-24(27-14-22(23)18-10-20(33-3)12-21(11-18)34-4)29-26(32)30-9-5-6-17-7-8-19(15-31)28-25(17)30/h7-8,10-16H,5-6,9H2,1-4H3,(H,27,29,32)
• InChIKey: LZWABVNOEPDQCX-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 102.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.53
LogP ≤ 5	4.75
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-(3,5-dimethoxyphenyl)-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-(3,5-dimethoxyphenyl)-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 166629133) is N-[5-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-(3,5-dimethoxyphenyl)-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COc1cc(OC)cc(-c2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)cc2OC(C)C)c1.

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

The InChIKey is LZWABVNOEPDQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-16(2)35-23-13-24(27-14-22(23)18-10-20(33-3)12-21(11-18)34-4)29-26(32)30-9-5-6-17-7-8-19(15-31)28-25(17)30/h7-8,10-16H,5-6,9H2,1-4H3,(H,27,29,32).

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

N-[5-(3,5-dimethoxyphenyl)-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 476.53 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3,5-dimethoxyphenyl)-4-propan-2-yloxy-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 166629133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).