6-(5-acetylthiophen-2-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide

C29H22F6N2O2S — CID 10303579

IUPAC6-(5-acetylthiophen-2-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(-c2cc(-c3ccccc3C)c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)s1
InChIInChI=1S/C29H22F6N2O2S/c1-16-6-4-5-7-21(16)22-13-24(26-9-8-25(40-26)17(2)38)36-14-23(22)27(39)37(3)15-18-10-19(28(30,31)32)12-20(11-18)29(33,34)35/h4-14H,15H2,1-3H3
InChIKeyMEPJOJIYUPXTTQ-UHFFFAOYSA-N
MW576.56 g/mol
LogP8.30
Rot. Bonds6

About 6-(5-acetylthiophen-2-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide

6-(5-acetylthiophen-2-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide (PubChem CID 10303579) has the molecular formula C29H22F6N2O2S and a molecular weight of 576.56 g/mol. Its IUPAC name is 6-(5-acetylthiophen-2-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-acetylthiophen-2-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
PubChem CID10303579
Molecular FormulaC29H22F6N2O2S
Molecular Weight576.56 g/mol
Exact Mass576.13
IUPAC Name6-(5-acetylthiophen-2-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(-c2cc(-c3ccccc3C)c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)s1
InChIInChI=1S/C29H22F6N2O2S/c1-16-6-4-5-7-21(16)22-13-24(26-9-8-25(40-26)17(2)38)36-14-23(22)27(39)37(3)15-18-10-19(28(30,31)32)12-20(11-18)29(33,34)35/h4-14H,15H2,1-3H3
InChIKeyMEPJOJIYUPXTTQ-UHFFFAOYSA-N
XLogP8.30
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.56
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-acetylthiophen-2-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(5-acetylthiophen-2-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide (CID 10303579) is 6-(5-acetylthiophen-2-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-acetylthiophen-2-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-acetylthiophen-2-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide is CC(=O)c1ccc(-c2cc(-c3ccccc3C)c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)s1.
What is the InChIKey of 6-(5-acetylthiophen-2-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is MEPJOJIYUPXTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F6N2O2S/c1-16-6-4-5-7-21(16)22-13-24(26-9-8-25(40-26)17(2)38)36-14-23(22)27(39)37(3)15-18-10-19(28(30,31)32)12-20(11-18)29(33,34)35/h4-14H,15H2,1-3H3.
What are the key properties of 6-(5-acetylthiophen-2-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
6-(5-acetylthiophen-2-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 576.56 g/mol, XLogP of 8.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-acetylthiophen-2-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 10303579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).