N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-(dimethoxymethyl)-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C26H29F2N5O6 — CID 155415371

About N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-(dimethoxymethyl)-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-(dimethoxymethyl)-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 155415371) has the molecular formula C26H29F2N5O6 and a molecular weight of 545.54 g/mol. Its IUPAC name is N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-(dimethoxymethyl)-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-(dimethoxymethyl)-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 155415371
• Molecular Formula: C26H29F2N5O6
• Molecular Weight: 545.54 g/mol
• Exact Mass: 545.21
• IUPAC Name: N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-(dimethoxymethyl)-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COc1cc(OC)c(F)c(COc2cnc(NC(=O)N3CCCc4c(C)cc(C(OC)OC)nc43)nc2)c1F
• InChI: InChI=1S/C26H29F2N5O6/c1-14-9-18(24(37-4)38-5)31-23-16(14)7-6-8-33(23)26(34)32-25-29-11-15(12-30-25)39-13-17-21(27)19(35-2)10-20(36-3)22(17)28/h9-12,24H,6-8,13H2,1-5H3,(H,29,30,32,34)
• InChIKey: UCCIZJTTXHGETB-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 117.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.54
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-(dimethoxymethyl)-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-(dimethoxymethyl)-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 155415371) is N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-(dimethoxymethyl)-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-(dimethoxymethyl)-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COc1cc(OC)c(F)c(COc2cnc(NC(=O)N3CCCc4c(C)cc(C(OC)OC)nc43)nc2)c1F.

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

The InChIKey is UCCIZJTTXHGETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N5O6/c1-14-9-18(24(37-4)38-5)31-23-16(14)7-6-8-33(23)26(34)32-25-29-11-15(12-30-25)39-13-17-21(27)19(35-2)10-20(36-3)22(17)28/h9-12,24H,6-8,13H2,1-5H3,(H,29,30,32,34).

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

N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-(dimethoxymethyl)-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 545.54 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-(dimethoxymethyl)-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 155415371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).