2-(difluoromethylsulfanyl)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]pyridine-3-carboxamide

C20H17F2N3O2S — CID 55972392

IUPAC2-(difluoromethylsulfanyl)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]pyridine-3-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3cccnc3SC(F)F)cn2)cc1C
InChIInChI=1S/C20H17F2N3O2S/c1-12-5-7-15(10-13(12)2)27-17-8-6-14(11-24-17)25-18(26)16-4-3-9-23-19(16)28-20(21)22/h3-11,20H,1-2H3,(H,25,26)
InChIKeyBKUQOUHCOWEFFK-UHFFFAOYSA-N
MW401.44 g/mol
LogP5.45
Rot. Bonds6

About 2-(difluoromethylsulfanyl)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]pyridine-3-carboxamide

2-(difluoromethylsulfanyl)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 55972392) has the molecular formula C20H17F2N3O2S and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID55972392
Molecular FormulaC20H17F2N3O2S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name2-(difluoromethylsulfanyl)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]pyridine-3-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3cccnc3SC(F)F)cn2)cc1C
InChIInChI=1S/C20H17F2N3O2S/c1-12-5-7-15(10-13(12)2)27-17-8-6-14(11-24-17)25-18(26)16-4-3-9-23-19(16)28-20(21)22/h3-11,20H,1-2H3,(H,25,26)
InChIKeyBKUQOUHCOWEFFK-UHFFFAOYSA-N
XLogP5.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.44
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethylsulfanyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55858888
(2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride
CID 119849043
2-(difluoromethylsulfanyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 24568681
2-(difluoromethylsulfanyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 55947441
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide
CID 154846570
2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 134013198
2-methoxy-N-[6-(3-methylphenoxy)-3-pyridinyl]benzamide
CID 42878441
N-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55971881
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]azepane-1-carboxamide
CID 52628826
N-[4-(3-methylphenoxy)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2511417
2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18128699
propan-2-yl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 55475285

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]pyridine-3-carboxamide (CID 55972392) is 2-(difluoromethylsulfanyl)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]pyridine-3-carboxamide is Cc1ccc(Oc2ccc(NC(=O)c3cccnc3SC(F)F)cn2)cc1C.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is BKUQOUHCOWEFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2S/c1-12-5-7-15(10-13(12)2)27-17-8-6-14(11-24-17)25-18(26)16-4-3-9-23-19(16)28-20(21)22/h3-11,20H,1-2H3,(H,25,26).
What are the key properties of 2-(difluoromethylsulfanyl)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]pyridine-3-carboxamide?
2-(difluoromethylsulfanyl)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 55972392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).