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

C30H24F6N2O2 — CID 23502874

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[hydroxy(phenyl)methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1cc(C(O)c2ccccc2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C30H24F6N2O2/c1-18-8-6-7-11-23(18)24-15-26(27(39)20-9-4-3-5-10-20)37-16-25(24)28(40)38(2)17-19-12-21(29(31,32)33)14-22(13-19)30(34,35)36/h3-16,27,39H,17H2,1-2H3
InChIKeyPGIROPYFGHZWEB-UHFFFAOYSA-N
MW558.52 g/mol
LogP7.45
Rot. Bonds6

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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[hydroxy(phenyl)methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide (PubChem CID 23502874) has the molecular formula C30H24F6N2O2 and a molecular weight of 558.52 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[hydroxy(phenyl)methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[hydroxy(phenyl)methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
PubChem CID23502874
Molecular FormulaC30H24F6N2O2
Molecular Weight558.52 g/mol
Exact Mass558.17
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[hydroxy(phenyl)methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1cc(C(O)c2ccccc2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C30H24F6N2O2/c1-18-8-6-7-11-23(18)24-15-26(27(39)20-9-4-3-5-10-20)37-16-25(24)28(40)38(2)17-19-12-21(29(31,32)33)14-22(13-19)30(34,35)36/h3-16,27,39H,17H2,1-2H3
InChIKeyPGIROPYFGHZWEB-UHFFFAOYSA-N
XLogP7.45
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.52
LogP ≤ 57.45
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-[hydroxy(phenyl)methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[hydroxy(phenyl)methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide (CID 23502874) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[hydroxy(phenyl)methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[hydroxy(phenyl)methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[hydroxy(phenyl)methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide is Cc1ccccc1-c1cc(C(O)c2ccccc2)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-[hydroxy(phenyl)methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is PGIROPYFGHZWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F6N2O2/c1-18-8-6-7-11-23(18)24-15-26(27(39)20-9-4-3-5-10-20)37-16-25(24)28(40)38(2)17-19-12-21(29(31,32)33)14-22(13-19)30(34,35)36/h3-16,27,39H,17H2,1-2H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[hydroxy(phenyl)methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[hydroxy(phenyl)methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 558.52 g/mol, XLogP of 7.45, 6 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-[hydroxy(phenyl)methyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 23502874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).