N-(3,5-dimethylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide

C21H17F3N2O2 — CID 52945734

IUPACN-(3,5-dimethylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C21H17F3N2O2/c1-13-10-14(2)12-16(11-13)25-20(27)19-5-3-4-18(26-19)15-6-8-17(9-7-15)28-21(22,23)24/h3-12H,1-2H3,(H,25,27)
InChIKeyCRWGPWWLHMHOMR-UHFFFAOYSA-N
MW386.37 g/mol
LogP5.52
Rot. Bonds4

About N-(3,5-dimethylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide

N-(3,5-dimethylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide (PubChem CID 52945734) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
PubChem CID52945734
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC NameN-(3,5-dimethylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C21H17F3N2O2/c1-13-10-14(2)12-16(11-13)25-20(27)19-5-3-4-18(26-19)15-6-8-17(9-7-15)28-21(22,23)24/h3-12H,1-2H3,(H,25,27)
InChIKeyCRWGPWWLHMHOMR-UHFFFAOYSA-N
XLogP5.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.37
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71522495
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CID 2093012
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CID 44237004
CID 44237004
CID 4118086
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CID 9836230
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CID 11221428
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CID 11247128
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CID 11475352
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CID 44545289
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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide (CID 52945734) is N-(3,5-dimethylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide is Cc1cc(C)cc(NC(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is CRWGPWWLHMHOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c1-13-10-14(2)12-16(11-13)25-20(27)19-5-3-4-18(26-19)15-6-8-17(9-7-15)28-21(22,23)24/h3-12H,1-2H3,(H,25,27).
What are the key properties of N-(3,5-dimethylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
N-(3,5-dimethylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 386.37 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 52945734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).