4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide

C26H24F4N4O3 — CID 66721438

About 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide

4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 66721438) has the molecular formula C26H24F4N4O3 and a molecular weight of 516.50 g/mol. Its IUPAC name is 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
• PubChem CID: 66721438
• Molecular Formula: C26H24F4N4O3
• Molecular Weight: 516.50 g/mol
• Exact Mass: 516.18
• IUPAC Name: 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1cc(Oc2cc3c(cc2F)CCC(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C3)ccn1
• InChI: InChI=1S/C26H24F4N4O3/c1-32-25(36)22-12-20(4-5-33-22)37-23-10-17-8-16(3-2-15(17)9-21(23)27)24(35)34-19-7-14(13-31)6-18(11-19)26(28,29)30/h4-7,9-12,16H,2-3,8,13,31H2,1H3,(H,32,36)(H,34,35)
• InChIKey: LOQZINNECKTPMI-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 106.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.50
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide?

The IUPAC name of 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide (CID 66721438) is 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cc3c(cc2F)CCC(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C3)ccn1.

What is the InChIKey of 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide?

The InChIKey is LOQZINNECKTPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N4O3/c1-32-25(36)22-12-20(4-5-33-22)37-23-10-17-8-16(3-2-15(17)9-21(23)27)24(35)34-19-7-14(13-31)6-18(11-19)26(28,29)30/h4-7,9-12,16H,2-3,8,13,31H2,1H3,(H,32,36)(H,34,35).

What are the key properties of 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide?

4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 516.50 g/mol, XLogP of 4.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 66721438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).