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

C26H29F2N5O5 — CID 155415335

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

N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 155415335) has the molecular formula C26H29F2N5O5 and a molecular weight of 529.54 g/mol. Its IUPAC name is N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 155415335
• Molecular Formula: C26H29F2N5O5
• Molecular Weight: 529.54 g/mol
• Exact Mass: 529.21
• IUPAC Name: N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COc1cc(OC)c(F)c(CCc2cnc(NC(=O)N3CCCc4ccc(C(OC)OC)nc43)nc2)c1F
• InChI: InChI=1S/C26H29F2N5O5/c1-35-19-12-20(36-2)22(28)17(21(19)27)9-7-15-13-29-25(30-14-15)32-26(34)33-11-5-6-16-8-10-18(31-23(16)33)24(37-3)38-4/h8,10,12-14,24H,5-7,9,11H2,1-4H3,(H,29,30,32,34)
• InChIKey: PGBDWYHIBYIOAG-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 107.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.54
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 155415335) is N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COc1cc(OC)c(F)c(CCc2cnc(NC(=O)N3CCCc4ccc(C(OC)OC)nc43)nc2)c1F.

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

The InChIKey is PGBDWYHIBYIOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N5O5/c1-35-19-12-20(36-2)22(28)17(21(19)27)9-7-15-13-29-25(30-14-15)32-26(34)33-11-5-6-16-8-10-18(31-23(16)33)24(37-3)38-4/h8,10,12-14,24H,5-7,9,11H2,1-4H3,(H,29,30,32,34).

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

N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 529.54 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 155415335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).