N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide

C28H25F6N3O — CID 10302116

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1cc(C2=CCNCC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C28H25F6N3O/c1-17-5-3-4-6-22(17)23-14-25(19-7-9-35-10-8-19)36-15-24(23)26(38)37(2)16-18-11-20(27(29,30)31)13-21(12-18)28(32,33)34/h3-7,11-15,35H,8-10,16H2,1-2H3
InChIKeyOYRZRULYKQBKPJ-UHFFFAOYSA-N
MW533.52 g/mol
LogP6.74
Rot. Bonds5

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide (PubChem CID 10302116) has the molecular formula C28H25F6N3O and a molecular weight of 533.52 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide
PubChem CID10302116
Molecular FormulaC28H25F6N3O
Molecular Weight533.52 g/mol
Exact Mass533.19
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1cc(C2=CCNCC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C28H25F6N3O/c1-17-5-3-4-6-22(17)23-14-25(19-7-9-35-10-8-19)36-15-24(23)26(38)37(2)16-18-11-20(27(29,30)31)13-21(12-18)28(32,33)34/h3-7,11-15,35H,8-10,16H2,1-2H3
InChIKeyOYRZRULYKQBKPJ-UHFFFAOYSA-N
XLogP6.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.52
LogP ≤ 56.74
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]-N-methyl-4-(2-methylphenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide (CID 10302116) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide is Cc1ccccc1-c1cc(C2=CCNCC2)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]-N-methyl-4-(2-methylphenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide?
The InChIKey is OYRZRULYKQBKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F6N3O/c1-17-5-3-4-6-22(17)23-14-25(19-7-9-35-10-8-19)36-15-24(23)26(38)37(2)16-18-11-20(27(29,30)31)13-21(12-18)28(32,33)34/h3-7,11-15,35H,8-10,16H2,1-2H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide has a molecular weight of 533.52 g/mol, XLogP of 6.74, 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]-N-methyl-4-(2-methylphenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 10302116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).