N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,6-trimethyl-4-phenylpyridine-3-carboxamide

C24H20F6N2O — CID 54580277

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,6-trimethyl-4-phenylpyridine-3-carboxamide
SMILESCc1cc(-c2ccccc2)c(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)n1
InChIInChI=1S/C24H20F6N2O/c1-14-9-20(17-7-5-4-6-8-17)21(15(2)31-14)22(33)32(3)13-16-10-18(23(25,26)27)12-19(11-16)24(28,29)30/h4-12H,13H2,1-3H3
InChIKeyCNDCKVKAMQTYNU-UHFFFAOYSA-N
MW466.43 g/mol
LogP6.68
Rot. Bonds4

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,6-trimethyl-4-phenylpyridine-3-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,6-trimethyl-4-phenylpyridine-3-carboxamide (PubChem CID 54580277) has the molecular formula C24H20F6N2O and a molecular weight of 466.43 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,6-trimethyl-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,6-trimethyl-4-phenylpyridine-3-carboxamide
PubChem CID54580277
Molecular FormulaC24H20F6N2O
Molecular Weight466.43 g/mol
Exact Mass466.15
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,6-trimethyl-4-phenylpyridine-3-carboxamide
SMILESCc1cc(-c2ccccc2)c(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)n1
InChIInChI=1S/C24H20F6N2O/c1-14-9-20(17-7-5-4-6-8-17)21(15(2)31-14)22(33)32(3)13-16-10-18(23(25,26)27)12-19(11-16)24(28,29)30/h4-12H,13H2,1-3H3
InChIKeyCNDCKVKAMQTYNU-UHFFFAOYSA-N
XLogP6.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.43
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,6-trimethyl-4-phenylpyridine-3-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,6-trimethyl-4-phenylpyridine-3-carboxamide (CID 54580277) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,6-trimethyl-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,6-trimethyl-4-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,6-trimethyl-4-phenylpyridine-3-carboxamide is Cc1cc(-c2ccccc2)c(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)n1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,6-trimethyl-4-phenylpyridine-3-carboxamide?
The InChIKey is CNDCKVKAMQTYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6N2O/c1-14-9-20(17-7-5-4-6-8-17)21(15(2)31-14)22(33)32(3)13-16-10-18(23(25,26)27)12-19(11-16)24(28,29)30/h4-12H,13H2,1-3H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,6-trimethyl-4-phenylpyridine-3-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,6-trimethyl-4-phenylpyridine-3-carboxamide has a molecular weight of 466.43 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,6-trimethyl-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 54580277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).