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

C30H24F6N2O2 — CID 23502869

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-methoxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(-c2cc(-c3ccccc3C)c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)c1
InChIInChI=1S/C30H24F6N2O2/c1-18-7-4-5-10-24(18)25-15-27(20-8-6-9-23(13-20)40-3)37-16-26(25)28(39)38(2)17-19-11-21(29(31,32)33)14-22(12-19)30(34,35)36/h4-16H,17H2,1-3H3
InChIKeyHFXNPDRPPYNUDV-UHFFFAOYSA-N
MW558.52 g/mol
LogP8.04
Rot. Bonds6

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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-methoxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide (PubChem CID 23502869) 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-(3-methoxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-methoxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
PubChem CID23502869
Molecular FormulaC30H24F6N2O2
Molecular Weight558.52 g/mol
Exact Mass558.17
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-methoxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(-c2cc(-c3ccccc3C)c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)c1
InChIInChI=1S/C30H24F6N2O2/c1-18-7-4-5-10-24(18)25-15-27(20-8-6-9-23(13-20)40-3)37-16-26(25)28(39)38(2)17-19-11-21(29(31,32)33)14-22(12-19)30(34,35)36/h4-16H,17H2,1-3H3
InChIKeyHFXNPDRPPYNUDV-UHFFFAOYSA-N
XLogP8.04
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.52
LogP ≤ 58.04
H-Bond Donors ≤ 50
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-methoxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-methoxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide (CID 23502869) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-methoxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-methoxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-methoxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide is COc1cccc(-c2cc(-c3ccccc3C)c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)c1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-methoxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is HFXNPDRPPYNUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F6N2O2/c1-18-7-4-5-10-24(18)25-15-27(20-8-6-9-23(13-20)40-3)37-16-26(25)28(39)38(2)17-19-11-21(29(31,32)33)14-22(12-19)30(34,35)36/h4-16H,17H2,1-3H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-methoxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3-methoxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 558.52 g/mol, XLogP of 8.04, 6 rotatable bonds, 0 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-methoxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 23502869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).