N-(2-ethylpyrazol-3-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide

C18H17FN4O2S — CID 59984464

IUPACN-(2-ethylpyrazol-3-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCCn1nccc1NC(=O)c1cc(F)cnc1Oc1cccc(SC)c1
InChIInChI=1S/C18H17FN4O2S/c1-3-23-16(7-8-21-23)22-17(24)15-9-12(19)11-20-18(15)25-13-5-4-6-14(10-13)26-2/h4-11H,3H2,1-2H3,(H,22,24)
InChIKeyJMWUKACGONUJLY-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.20
Rot. Bonds6

About N-(2-ethylpyrazol-3-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide

N-(2-ethylpyrazol-3-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (PubChem CID 59984464) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(2-ethylpyrazol-3-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylpyrazol-3-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
PubChem CID59984464
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC NameN-(2-ethylpyrazol-3-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCCn1nccc1NC(=O)c1cc(F)cnc1Oc1cccc(SC)c1
InChIInChI=1S/C18H17FN4O2S/c1-3-23-16(7-8-21-23)22-17(24)15-9-12(19)11-20-18(15)25-13-5-4-6-14(10-13)26-2/h4-11H,3H2,1-2H3,(H,22,24)
InChIKeyJMWUKACGONUJLY-UHFFFAOYSA-N
XLogP4.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrazol-3-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-(2-ethylpyrazol-3-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (CID 59984464) is N-(2-ethylpyrazol-3-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethylpyrazol-3-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethylpyrazol-3-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide is CCn1nccc1NC(=O)c1cc(F)cnc1Oc1cccc(SC)c1.
What is the InChIKey of N-(2-ethylpyrazol-3-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The InChIKey is JMWUKACGONUJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-3-23-16(7-8-21-23)22-17(24)15-9-12(19)11-20-18(15)25-13-5-4-6-14(10-13)26-2/h4-11H,3H2,1-2H3,(H,22,24).
What are the key properties of N-(2-ethylpyrazol-3-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
N-(2-ethylpyrazol-3-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrazol-3-yl)-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 59984464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).