N-[(7R)-1,7-difluoro-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]-1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-1,8-naphthyridine-3-carboxamide

C28H28F4N4O2 — CID 155051256

About N-[(7R)-1,7-difluoro-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]-1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-1,8-naphthyridine-3-carboxamide

N-[(7R)-1,7-difluoro-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]-1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 155051256) has the molecular formula C28H28F4N4O2 and a molecular weight of 528.55 g/mol. Its IUPAC name is N-[(7R)-1,7-difluoro-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]-1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(7R)-1,7-difluoro-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]-1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 155051256
• Molecular Formula: C28H28F4N4O2
• Molecular Weight: 528.55 g/mol
• Exact Mass: 528.21
• IUPAC Name: N-[(7R)-1,7-difluoro-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]-1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: CN(C)c1ccc2c(=O)c(C(=O)NC3(C)CC4CC5(F)C[C@@](F)(CC45)C3)cn(-c3ccc(F)cc3F)c2n1
• InChI: InChI=1S/C28H28F4N4O2/c1-26(9-15-10-28(32)14-27(31,13-26)11-19(15)28)34-25(38)18-12-36(21-6-4-16(29)8-20(21)30)24-17(23(18)37)5-7-22(33-24)35(2)3/h4-8,12,15,19H,9-11,13-14H2,1-3H3,(H,34,38)/t15?,19?,26?,27-,28?/m1/s1
• InChIKey: HWQSSEQEFKNSLG-WUBUGVEXSA-N
• XLogP: 4.86
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.55
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(7R)-1,7-difluoro-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]-1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of N-[(7R)-1,7-difluoro-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]-1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 155051256) is N-[(7R)-1,7-difluoro-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]-1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for N-[(7R)-1,7-difluoro-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]-1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for N-[(7R)-1,7-difluoro-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]-1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-1,8-naphthyridine-3-carboxamide is CN(C)c1ccc2c(=O)c(C(=O)NC3(C)CC4CC5(F)C[C@@](F)(CC45)C3)cn(-c3ccc(F)cc3F)c2n1.

What is the InChIKey of N-[(7R)-1,7-difluoro-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]-1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is HWQSSEQEFKNSLG-WUBUGVEXSA-N. The full InChI is InChI=1S/C28H28F4N4O2/c1-26(9-15-10-28(32)14-27(31,13-26)11-19(15)28)34-25(38)18-12-36(21-6-4-16(29)8-20(21)30)24-17(23(18)37)5-7-22(33-24)35(2)3/h4-8,12,15,19H,9-11,13-14H2,1-3H3,(H,34,38)/t15?,19?,26?,27-,28?/m1/s1.

What are the key properties of N-[(7R)-1,7-difluoro-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]-1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-1,8-naphthyridine-3-carboxamide?

N-[(7R)-1,7-difluoro-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]-1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 528.55 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7R)-1,7-difluoro-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]-1-(2,4-difluorophenyl)-7-(dimethylamino)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 155051256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).