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

C29H22F6N2O2 — CID 23502855

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-hydroxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1cc(-c2cccc(O)c2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C29H22F6N2O2/c1-17-6-3-4-9-23(17)24-14-26(19-7-5-8-22(38)12-19)36-15-25(24)27(39)37(2)16-18-10-20(28(30,31)32)13-21(11-18)29(33,34)35/h3-15,38H,16H2,1-2H3
InChIKeyZANVXLLHOSCXMO-UHFFFAOYSA-N
MW544.50 g/mol
LogP7.74
Rot. Bonds5

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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-hydroxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide (PubChem CID 23502855) has the molecular formula C29H22F6N2O2 and a molecular weight of 544.50 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-hydroxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-hydroxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
PubChem CID23502855
Molecular FormulaC29H22F6N2O2
Molecular Weight544.50 g/mol
Exact Mass544.16
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-hydroxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1cc(-c2cccc(O)c2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C29H22F6N2O2/c1-17-6-3-4-9-23(17)24-14-26(19-7-5-8-22(38)12-19)36-15-25(24)27(39)37(2)16-18-10-20(28(30,31)32)13-21(11-18)29(33,34)35/h3-15,38H,16H2,1-2H3
InChIKeyZANVXLLHOSCXMO-UHFFFAOYSA-N
XLogP7.74
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.50
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-hydroxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-hydroxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide (CID 23502855) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-hydroxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-hydroxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-hydroxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide is Cc1ccccc1-c1cc(-c2cccc(O)c2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-hydroxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is ZANVXLLHOSCXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F6N2O2/c1-17-6-3-4-9-23(17)24-14-26(19-7-5-8-22(38)12-19)36-15-25(24)27(39)37(2)16-18-10-20(28(30,31)32)13-21(11-18)29(33,34)35/h3-15,38H,16H2,1-2H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-hydroxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-hydroxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 544.50 g/mol, XLogP of 7.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-hydroxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 23502855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).