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

C30H24F6N2O2 — CID 10303043

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[4-(hydroxymethyl)phenyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1cc(-c2ccc(CO)cc2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C30H24F6N2O2/c1-18-5-3-4-6-24(18)25-14-27(21-9-7-19(17-39)8-10-21)37-15-26(25)28(40)38(2)16-20-11-22(29(31,32)33)13-23(12-20)30(34,35)36/h3-15,39H,16-17H2,1-2H3
InChIKeyHNZXVWBAYFGNJK-UHFFFAOYSA-N
MW558.52 g/mol
LogP7.53
Rot. Bonds6

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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[4-(hydroxymethyl)phenyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide (PubChem CID 10303043) 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-[4-(hydroxymethyl)phenyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[4-(hydroxymethyl)phenyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
PubChem CID10303043
Molecular FormulaC30H24F6N2O2
Molecular Weight558.52 g/mol
Exact Mass558.17
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[4-(hydroxymethyl)phenyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1cc(-c2ccc(CO)cc2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C30H24F6N2O2/c1-18-5-3-4-6-24(18)25-14-27(21-9-7-19(17-39)8-10-21)37-15-26(25)28(40)38(2)16-20-11-22(29(31,32)33)13-23(12-20)30(34,35)36/h3-15,39H,16-17H2,1-2H3
InChIKeyHNZXVWBAYFGNJK-UHFFFAOYSA-N
XLogP7.53
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 ≤ 57.53
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-[4-(hydroxymethyl)phenyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[4-(hydroxymethyl)phenyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide (CID 10303043) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[4-(hydroxymethyl)phenyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[4-(hydroxymethyl)phenyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[4-(hydroxymethyl)phenyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide is Cc1ccccc1-c1cc(-c2ccc(CO)cc2)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-[4-(hydroxymethyl)phenyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is HNZXVWBAYFGNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F6N2O2/c1-18-5-3-4-6-24(18)25-14-27(21-9-7-19(17-39)8-10-21)37-15-26(25)28(40)38(2)16-20-11-22(29(31,32)33)13-23(12-20)30(34,35)36/h3-15,39H,16-17H2,1-2H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[4-(hydroxymethyl)phenyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[4-(hydroxymethyl)phenyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 558.52 g/mol, XLogP of 7.53, 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-[4-(hydroxymethyl)phenyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 10303043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).