N-(4-fluorophenyl)-6-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridine-3-carboxamide

C20H14F4N2O2S — CID 46897731

IUPACN-(4-fluorophenyl)-6-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(SCc2ccc(OC(F)(F)F)cc2)nc1
InChIInChI=1S/C20H14F4N2O2S/c21-15-4-6-16(7-5-15)26-19(27)14-3-10-18(25-11-14)29-12-13-1-8-17(9-2-13)28-20(22,23)24/h1-11H,12H2,(H,26,27)
InChIKeyALOIAUNKGJPXHI-UHFFFAOYSA-N
MW422.40 g/mol
LogP5.66
Rot. Bonds6

About N-(4-fluorophenyl)-6-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridine-3-carboxamide

N-(4-fluorophenyl)-6-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridine-3-carboxamide (PubChem CID 46897731) has the molecular formula C20H14F4N2O2S and a molecular weight of 422.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridine-3-carboxamide
PubChem CID46897731
Molecular FormulaC20H14F4N2O2S
Molecular Weight422.40 g/mol
Exact Mass422.07
IUPAC NameN-(4-fluorophenyl)-6-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(SCc2ccc(OC(F)(F)F)cc2)nc1
InChIInChI=1S/C20H14F4N2O2S/c21-15-4-6-16(7-5-15)26-19(27)14-3-10-18(25-11-14)29-12-13-1-8-17(9-2-13)28-20(22,23)24/h1-11H,12H2,(H,26,27)
InChIKeyALOIAUNKGJPXHI-UHFFFAOYSA-N
XLogP5.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.40
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[5-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]sulfanylmethyl]phenyl]boronic acid
CID 59446381
N-(4-fluorophenyl)-6-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)phenyl]methylsulfanyl]pyridine-3-carboxamide
CID 46896784
N-(4-fluorophenyl)-6-(2-phenoxyethylsulfanyl)pyridine-3-carboxamide
CID 46896585
4-(methylsulfanylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2526024
6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 91937265
6-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 146193236
4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7957132
4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38209872
6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 46262434
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562
N-(4-methoxyphenyl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide
CID 6401122
N-(4-fluorophenyl)-6-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylsulfanyl]pyridine-3-carboxamide
CID 46897352

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridine-3-carboxamide (CID 46897731) is N-(4-fluorophenyl)-6-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccc(OC(F)(F)F)cc2)nc1.
What is the InChIKey of N-(4-fluorophenyl)-6-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridine-3-carboxamide?
The InChIKey is ALOIAUNKGJPXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O2S/c21-15-4-6-16(7-5-15)26-19(27)14-3-10-18(25-11-14)29-12-13-1-8-17(9-2-13)28-20(22,23)24/h1-11H,12H2,(H,26,27).
What are the key properties of N-(4-fluorophenyl)-6-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridine-3-carboxamide?
N-(4-fluorophenyl)-6-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridine-3-carboxamide has a molecular weight of 422.40 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 46897731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).