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

C22H16F6N2O — CID 54582277

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide
SMILESCc1nccc(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H16F6N2O/c1-13-19(18(7-8-29-13)15-5-3-2-4-6-15)20(31)30-12-14-9-16(21(23,24)25)11-17(10-14)22(26,27)28/h2-11H,12H2,1H3,(H,30,31)
InChIKeyFUCPKVYRKXXLFP-UHFFFAOYSA-N
MW438.37 g/mol
LogP6.02
Rot. Bonds4

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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide (PubChem CID 54582277) has the molecular formula C22H16F6N2O and a molecular weight of 438.37 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide
PubChem CID54582277
Molecular FormulaC22H16F6N2O
Molecular Weight438.37 g/mol
Exact Mass438.12
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide
SMILESCc1nccc(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H16F6N2O/c1-13-19(18(7-8-29-13)15-5-3-2-4-6-15)20(31)30-12-14-9-16(21(23,24)25)11-17(10-14)22(26,27)28/h2-11H,12H2,1H3,(H,30,31)
InChIKeyFUCPKVYRKXXLFP-UHFFFAOYSA-N
XLogP6.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.37
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide (CID 54582277) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide is Cc1nccc(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide?
The InChIKey is FUCPKVYRKXXLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F6N2O/c1-13-19(18(7-8-29-13)15-5-3-2-4-6-15)20(31)30-12-14-9-16(21(23,24)25)11-17(10-14)22(26,27)28/h2-11H,12H2,1H3,(H,30,31).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide has a molecular weight of 438.37 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 54582277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).