N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C24H22F2N4O5 — CID 155415337

About N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 155415337) has the molecular formula C24H22F2N4O5 and a molecular weight of 484.46 g/mol. Its IUPAC name is N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 155415337
• Molecular Formula: C24H22F2N4O5
• Molecular Weight: 484.46 g/mol
• Exact Mass: 484.16
• IUPAC Name: N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COc1cc(OC)c(F)c(COc2ccc(NC(=O)N3CCCc4ccc(C=O)nc43)nc2)c1F
• InChI: InChI=1S/C24H22F2N4O5/c1-33-18-10-19(34-2)22(26)17(21(18)25)13-35-16-7-8-20(27-11-16)29-24(32)30-9-3-4-14-5-6-15(12-31)28-23(14)30/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,27,29,32)
• InChIKey: USMOXQVZVXZBQW-UHFFFAOYSA-N
• XLogP: 4.15
• 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	484.46
LogP ≤ 5	4.15
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-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 155415337) is N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COc1cc(OC)c(F)c(COc2ccc(NC(=O)N3CCCc4ccc(C=O)nc43)nc2)c1F.

What is the InChIKey of N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is USMOXQVZVXZBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O5/c1-33-18-10-19(34-2)22(26)17(21(18)25)13-35-16-7-8-20(27-11-16)29-24(32)30-9-3-4-14-5-6-15(12-31)28-23(14)30/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,27,29,32).

What are the key properties of N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 484.46 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 155415337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).