N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide

C16H13FN4O3S — CID 158645490

IUPACN-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide
SMILESCc1nc(-c2ccc(C(=O)N=S(C)(=O)c3ccccc3F)nc2)no1
InChIInChI=1S/C16H13FN4O3S/c1-10-19-15(20-24-10)11-7-8-13(18-9-11)16(22)21-25(2,23)14-6-4-3-5-12(14)17/h3-9H,1-2H3
InChIKeyIAXHVKFJVZLKFK-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.88
Rot. Bonds3

About N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide

N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide (PubChem CID 158645490) has the molecular formula C16H13FN4O3S and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide
PubChem CID158645490
Molecular FormulaC16H13FN4O3S
Molecular Weight360.37 g/mol
Exact Mass360.07
IUPAC NameN-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide
SMILESCc1nc(-c2ccc(C(=O)N=S(C)(=O)c3ccccc3F)nc2)no1
InChIInChI=1S/C16H13FN4O3S/c1-10-19-15(20-24-10)11-7-8-13(18-9-11)16(22)21-25(2,23)14-6-4-3-5-12(14)17/h3-9H,1-2H3
InChIKeyIAXHVKFJVZLKFK-UHFFFAOYSA-N
XLogP2.88
TPSA98.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-fluorophenyl)-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane
CID 159426525
N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-4-(2-methyl-1,3-oxazol-4-yl)benzamide
CID 159881532
N-[(3-fluorophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 158984067
N-[methyl-[(2-methylphenyl)methyl]-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 159454111
(2,3-difluorophenyl)methyl-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane
CID 161456208
3-fluoro-N-[methyl-oxo-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-λ6-sulfanylidene]benzamide
CID 146264395
[[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]amino]-trimethylsilane
CID 170607338
N-[(4-methoxyphenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 158675656
N-[[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methyl]acetamide
CID 153383953
[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 90491240
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 2,4-difluorobenzenesulfonate
CID 33147004
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 2-fluoro-5-methylbenzenesulfonate
CID 39623861

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide (CID 158645490) is N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide is Cc1nc(-c2ccc(C(=O)N=S(C)(=O)c3ccccc3F)nc2)no1.
What is the InChIKey of N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide?
The InChIKey is IAXHVKFJVZLKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3S/c1-10-19-15(20-24-10)11-7-8-13(18-9-11)16(22)21-25(2,23)14-6-4-3-5-12(14)17/h3-9H,1-2H3.
What are the key properties of N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide?
N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 158645490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).