N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C20H15F3N2O3 — CID 42803007

IUPACN-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)nc2)c1
InChIInChI=1S/C20H15F3N2O3/c1-27-16-6-3-5-15(11-16)25-19(26)14-8-9-18(24-12-14)13-4-2-7-17(10-13)28-20(21,22)23/h2-12H,1H3,(H,25,26)
InChIKeyKOWHHIUQKITAHI-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.91
Rot. Bonds5

About N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 42803007) has the molecular formula C20H15F3N2O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID42803007
Molecular FormulaC20H15F3N2O3
Molecular Weight388.35 g/mol
Exact Mass388.10
IUPAC NameN-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)nc2)c1
InChIInChI=1S/C20H15F3N2O3/c1-27-16-6-3-5-15(11-16)25-19(26)14-8-9-18(24-12-14)13-4-2-7-17(10-13)28-20(21,22)23/h2-12H,1H3,(H,25,26)
InChIKeyKOWHHIUQKITAHI-UHFFFAOYSA-N
XLogP4.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-tert-butylphenyl)-6-(3-methoxyphenyl)pyridine-3-carboxamide
CID 58639394
6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 66463651
3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38033064
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
5-N-(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 47460212
2-hydroxy-4-methoxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38204734
N-[3-amino-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide
CID 90459921
3-(3-methoxyphenyl)-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-5-carboxamide
CID 121089502
N-(3-methoxyphenyl)-6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 25176572
1-(3-methoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]thiourea
CID 53488765
6-(3-fluorophenyl)-N-phenylpyridine-3-carboxamide
CID 53111120
N-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157277

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 42803007) is N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is COc1cccc(NC(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)nc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is KOWHHIUQKITAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3/c1-27-16-6-3-5-15(11-16)25-19(26)14-8-9-18(24-12-14)13-4-2-7-17(10-13)28-20(21,22)23/h2-12H,1H3,(H,25,26).
What are the key properties of N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 42803007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).