2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide

C27H21F5N4O4 — CID 169249148

About 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide

2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 169249148) has the molecular formula C27H21F5N4O4 and a molecular weight of 560.48 g/mol. Its IUPAC name is 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

• Compound Name: 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
• PubChem CID: 169249148
• Molecular Formula: C27H21F5N4O4
• Molecular Weight: 560.48 g/mol
• Exact Mass: 560.15
• IUPAC Name: 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
• SMILES: Cc1c(Oc2ncc(C(F)(F)F)c(C)c2-c2cc(=O)c3c(C(=O)NC4CC(O)C4)nccc3[nH]2)ccc(F)c1F
• InChI: InChI=1S/C27H21F5N4O4/c1-11-15(27(30,31)32)10-34-26(40-20-4-3-16(28)23(29)12(20)2)21(11)18-9-19(38)22-17(36-18)5-6-33-24(22)25(39)35-13-7-14(37)8-13/h3-6,9-10,13-14,37H,7-8H2,1-2H3,(H,35,39)(H,36,38)
• InChIKey: GWSWQAVJFHATFI-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 117.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.48
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?

The IUPAC name of 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 169249148) is 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

What is the SMILES notation for 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?

The canonical SMILES for 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide is Cc1c(Oc2ncc(C(F)(F)F)c(C)c2-c2cc(=O)c3c(C(=O)NC4CC(O)C4)nccc3[nH]2)ccc(F)c1F.

What is the InChIKey of 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?

The InChIKey is GWSWQAVJFHATFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F5N4O4/c1-11-15(27(30,31)32)10-34-26(40-20-4-3-16(28)23(29)12(20)2)21(11)18-9-19(38)22-17(36-18)5-6-33-24(22)25(39)35-13-7-14(37)8-13/h3-6,9-10,13-14,37H,7-8H2,1-2H3,(H,35,39)(H,36,38).

What are the key properties of 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?

2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 560.48 g/mol, XLogP of 4.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 169249148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).