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

C21H17F3N2O2 — CID 52942105

IUPACN-(3,5-dimethylphenyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)c1
InChIInChI=1S/C21H17F3N2O2/c1-13-7-14(2)9-18(8-13)26-20(27)17-10-16(11-25-12-17)15-3-5-19(6-4-15)28-21(22,23)24/h3-12H,1-2H3,(H,26,27)
InChIKeyQLGKRCSGYMDFCH-UHFFFAOYSA-N
MW386.37 g/mol
LogP5.52
Rot. Bonds4

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

N-(3,5-dimethylphenyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 52942105) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID52942105
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC NameN-(3,5-dimethylphenyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)c1
InChIInChI=1S/C21H17F3N2O2/c1-13-7-14(2)9-18(8-13)26-20(27)17-10-16(11-25-12-17)15-3-5-19(6-4-15)28-21(22,23)24/h3-12H,1-2H3,(H,26,27)
InChIKeyQLGKRCSGYMDFCH-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 91735
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Ave-0118
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Wwl70
CID 17759121
6-(4-(2-(Benzylamino)ethyl)phenoxy)nicotinamide
CID 44434057
6-(4-(3-(Benzylamino)propyl)phenoxy)nicotinamide
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6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
7-Methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol
CID 67617600
4-oxo-2-[4-[2-(trifluoromethoxy)phenyl]phenyl]-1H-1,6-naphthyridine-3-carbonitrile
CID 57328385
N-(3,4-dimethoxybenzyl)-5-(3,5-dimethylphenyl)-2,3'-bipyridine-3-carboxamide
CID 24896566
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060899

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 52942105) is N-(3,5-dimethylphenyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is Cc1cc(C)cc(NC(=O)c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is QLGKRCSGYMDFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c1-13-7-14(2)9-18(8-13)26-20(27)17-10-16(11-25-12-17)15-3-5-19(6-4-15)28-21(22,23)24/h3-12H,1-2H3,(H,26,27).
What are the key properties of N-(3,5-dimethylphenyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
N-(3,5-dimethylphenyl)-5-[4-(trifluoromethoxy)phenyl]pyridine-3-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)-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 52942105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).