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

C29H22F6N2O2 — CID 90915312

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[(2-hydroxyphenyl)methyl]-4-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1cc(Cc2ccccc2O)ncc1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C29H22F6N2O2/c1-17-6-2-4-8-23(17)24-14-22(12-19-7-3-5-9-26(19)38)36-16-25(24)27(39)37-15-18-10-20(28(30,31)32)13-21(11-18)29(33,34)35/h2-11,13-14,16,38H,12,15H2,1H3,(H,37,39)
InChIKeyRPXPNWSOFRKHBE-UHFFFAOYSA-N
MW544.50 g/mol
LogP7.32
Rot. Bonds6

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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[(2-hydroxyphenyl)methyl]-4-(2-methylphenyl)pyridine-3-carboxamide (PubChem CID 90915312) 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-[(2-hydroxyphenyl)methyl]-4-(2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[(2-hydroxyphenyl)methyl]-4-(2-methylphenyl)pyridine-3-carboxamide
PubChem CID90915312
Molecular FormulaC29H22F6N2O2
Molecular Weight544.50 g/mol
Exact Mass544.16
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[(2-hydroxyphenyl)methyl]-4-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1cc(Cc2ccccc2O)ncc1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C29H22F6N2O2/c1-17-6-2-4-8-23(17)24-14-22(12-19-7-3-5-9-26(19)38)36-16-25(24)27(39)37-15-18-10-20(28(30,31)32)13-21(11-18)29(33,34)35/h2-11,13-14,16,38H,12,15H2,1H3,(H,37,39)
InChIKeyRPXPNWSOFRKHBE-UHFFFAOYSA-N
XLogP7.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.50
LogP ≤ 57.32
H-Bond Donors ≤ 52
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-[(2-hydroxyphenyl)methyl]-4-(2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[(2-hydroxyphenyl)methyl]-4-(2-methylphenyl)pyridine-3-carboxamide (CID 90915312) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[(2-hydroxyphenyl)methyl]-4-(2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[(2-hydroxyphenyl)methyl]-4-(2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[(2-hydroxyphenyl)methyl]-4-(2-methylphenyl)pyridine-3-carboxamide is Cc1ccccc1-c1cc(Cc2ccccc2O)ncc1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[(2-hydroxyphenyl)methyl]-4-(2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is RPXPNWSOFRKHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F6N2O2/c1-17-6-2-4-8-23(17)24-14-22(12-19-7-3-5-9-26(19)38)36-16-25(24)27(39)37-15-18-10-20(28(30,31)32)13-21(11-18)29(33,34)35/h2-11,13-14,16,38H,12,15H2,1H3,(H,37,39).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[(2-hydroxyphenyl)methyl]-4-(2-methylphenyl)pyridine-3-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[(2-hydroxyphenyl)methyl]-4-(2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 544.50 g/mol, XLogP of 7.32, 6 rotatable bonds, 2 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-[(2-hydroxyphenyl)methyl]-4-(2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 90915312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).