6-N-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;fluoromethane

C26H24BrF4N3O2 — CID 169268099

IUPAC6-N-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;fluoromethane
SMILESCF.Cc1cc(NC(=O)c2cccc(C(=O)NC3CCc4cccc(Br)c4C3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C25H21BrF3N3O2.CH3F/c1-14-10-16(25(27,28)29)12-18(11-14)31-24(34)22-7-3-6-21(32-22)23(33)30-17-9-8-15-4-2-5-20(26)19(15)13-17;1-2/h2-7,10-12,17H,8-9,13H2,1H3,(H,30,33)(H,31,34);1H3
InChIKeyJHPVAEIMTFZBCD-UHFFFAOYSA-N
MW566.39 g/mol
LogP6.30
Rot. Bonds4

About 6-N-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;fluoromethane

6-N-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;fluoromethane (PubChem CID 169268099) has the molecular formula C26H24BrF4N3O2 and a molecular weight of 566.39 g/mol. Its IUPAC name is 6-N-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;fluoromethane.

Molecular Properties

Compound Name6-N-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;fluoromethane
PubChem CID169268099
Molecular FormulaC26H24BrF4N3O2
Molecular Weight566.39 g/mol
Exact Mass565.10
IUPAC Name6-N-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;fluoromethane
SMILESCF.Cc1cc(NC(=O)c2cccc(C(=O)NC3CCc4cccc(Br)c4C3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C25H21BrF3N3O2.CH3F/c1-14-10-16(25(27,28)29)12-18(11-14)31-24(34)22-7-3-6-21(32-22)23(33)30-17-9-8-15-4-2-5-20(26)19(15)13-17;1-2/h2-7,10-12,17H,8-9,13H2,1H3,(H,30,33)(H,31,34);1H3
InChIKeyJHPVAEIMTFZBCD-UHFFFAOYSA-N
XLogP6.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.39
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-N-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;fluoromethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;fluoromethane?
The IUPAC name of 6-N-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;fluoromethane (CID 169268099) is 6-N-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;fluoromethane.
What is the SMILES notation for 6-N-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;fluoromethane?
The canonical SMILES for 6-N-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;fluoromethane is CF.Cc1cc(NC(=O)c2cccc(C(=O)NC3CCc4cccc(Br)c4C3)n2)cc(C(F)(F)F)c1.
What is the InChIKey of 6-N-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;fluoromethane?
The InChIKey is JHPVAEIMTFZBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrF3N3O2.CH3F/c1-14-10-16(25(27,28)29)12-18(11-14)31-24(34)22-7-3-6-21(32-22)23(33)30-17-9-8-15-4-2-5-20(26)19(15)13-17;1-2/h2-7,10-12,17H,8-9,13H2,1H3,(H,30,33)(H,31,34);1H3.
What are the key properties of 6-N-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;fluoromethane?
6-N-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;fluoromethane has a molecular weight of 566.39 g/mol, XLogP of 6.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide;fluoromethane is sourced from PubChem (CID 169268099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).