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

C24H20F6N2O2 — CID 10299574

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1cc(CO)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H20F6N2O2/c1-14-5-3-4-6-19(14)20-10-18(13-33)31-11-21(20)22(34)32(2)12-15-7-16(23(25,26)27)9-17(8-15)24(28,29)30/h3-11,33H,12-13H2,1-2H3
InChIKeyUIVMYEZJWVDITM-UHFFFAOYSA-N
MW482.42 g/mol
LogP5.86
Rot. Bonds5

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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide (PubChem CID 10299574) has the molecular formula C24H20F6N2O2 and a molecular weight of 482.42 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
PubChem CID10299574
Molecular FormulaC24H20F6N2O2
Molecular Weight482.42 g/mol
Exact Mass482.14
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1cc(CO)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H20F6N2O2/c1-14-5-3-4-6-19(14)20-10-18(13-33)31-11-21(20)22(34)32(2)12-15-7-16(23(25,26)27)9-17(8-15)24(28,29)30/h3-11,33H,12-13H2,1-2H3
InChIKeyUIVMYEZJWVDITM-UHFFFAOYSA-N
XLogP5.86
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.42
LogP ≤ 55.86
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-(hydroxymethyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide (CID 10299574) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide is Cc1ccccc1-c1cc(CO)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-(hydroxymethyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is UIVMYEZJWVDITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6N2O2/c1-14-5-3-4-6-19(14)20-10-18(13-33)31-11-21(20)22(34)32(2)12-15-7-16(23(25,26)27)9-17(8-15)24(28,29)30/h3-11,33H,12-13H2,1-2H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 482.42 g/mol, XLogP of 5.86, 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-(hydroxymethyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 10299574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).