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

C29H30F3N5O4 — CID 58902434

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

4-[[7-[[3-[(ethylcarbamoylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 58902434) has the molecular formula C29H30F3N5O4 and a molecular weight of 569.58 g/mol. Its IUPAC name is 4-[[7-[[3-[(ethylcarbamoylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[7-[[3-[(ethylcarbamoylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
• PubChem CID: 58902434
• Molecular Formula: C29H30F3N5O4
• Molecular Weight: 569.58 g/mol
• Exact Mass: 569.22
• IUPAC Name: 4-[[7-[[3-[(ethylcarbamoylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
• SMILES: CCNC(=O)NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc(C(=O)NC)c4)cc3C2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C29H30F3N5O4/c1-3-34-28(40)36-16-17-10-21(29(30,31)32)14-22(11-17)37-26(38)19-5-4-18-6-7-23(13-20(18)12-19)41-24-8-9-35-25(15-24)27(39)33-2/h6-11,13-15,19H,3-5,12,16H2,1-2H3,(H,33,39)(H,37,38)(H2,34,36,40)
• InChIKey: JBMKVRHBZBWYCR-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 121.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.58
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[[7-[[3-[(ethylcarbamoylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide (CID 58902434) is 4-[[7-[[3-[(ethylcarbamoylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide.

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

The canonical SMILES for 4-[[7-[[3-[(ethylcarbamoylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide is CCNC(=O)NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc(C(=O)NC)c4)cc3C2)cc(C(F)(F)F)c1.

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

The InChIKey is JBMKVRHBZBWYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N5O4/c1-3-34-28(40)36-16-17-10-21(29(30,31)32)14-22(11-17)37-26(38)19-5-4-18-6-7-23(13-20(18)12-19)41-24-8-9-35-25(15-24)27(39)33-2/h6-11,13-15,19H,3-5,12,16H2,1-2H3,(H,33,39)(H,37,38)(H2,34,36,40).

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

4-[[7-[[3-[(ethylcarbamoylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 569.58 g/mol, XLogP of 4.82, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[7-[[3-[(ethylcarbamoylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 58902434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).