5-fluoro-N-(6-methoxy-3-pyridinyl)-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide

C19H16FN3O3S — CID 59984490

IUPAC5-fluoro-N-(6-methoxy-3-pyridinyl)-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(F)cnc2Oc2cccc(SC)c2)cn1
InChIInChI=1S/C19H16FN3O3S/c1-25-17-7-6-13(11-21-17)23-18(24)16-8-12(20)10-22-19(16)26-14-4-3-5-15(9-14)27-2/h3-11H,1-2H3,(H,23,24)
InChIKeyHVWVGLAUFRVBCD-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.39
Rot. Bonds6

About 5-fluoro-N-(6-methoxy-3-pyridinyl)-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide

5-fluoro-N-(6-methoxy-3-pyridinyl)-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (PubChem CID 59984490) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is 5-fluoro-N-(6-methoxy-3-pyridinyl)-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(6-methoxy-3-pyridinyl)-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
PubChem CID59984490
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name5-fluoro-N-(6-methoxy-3-pyridinyl)-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(F)cnc2Oc2cccc(SC)c2)cn1
InChIInChI=1S/C19H16FN3O3S/c1-25-17-7-6-13(11-21-17)23-18(24)16-8-12(20)10-22-19(16)26-14-4-3-5-15(9-14)27-2/h3-11H,1-2H3,(H,23,24)
InChIKeyHVWVGLAUFRVBCD-UHFFFAOYSA-N
XLogP4.39
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxylic acid;5-fluoro-2-(3-methylsulfanylphenoxy)-N-pyridin-4-ylpyridine-3-carboxamide
CID 157342436
5-fluoro-N-[(1R,3S)-3-hydroxycyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 58746198
N-[4-[(3,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 11295208
5-fluoro-N-[4-[(2-hydroxy-5-methylbenzoyl)amino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 11283604
N-[4-(chloroamino)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide;5-fluoro-N-[4-[(2-methoxyacetyl)amino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 159168206
N-[4-(chloroamino)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide;5-fluoro-2-(3-methylsulfanylphenoxy)-N-[4-(propanoylamino)cyclohexyl]pyridine-3-carboxamide
CID 159642889
5-fluoro-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 59984467
2-methoxy-N-[6-(3-methylphenoxy)-3-pyridinyl]benzamide
CID 42878441
5-fluoro-2-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide
CID 142274034
N-[1-(2-acetamidoacetyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 11328664
N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 75375551
1-[5-fluoro-2-(3-methylphenoxy)-3-pyridinyl]ethanone
CID 142274107

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(6-methoxy-3-pyridinyl)-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-(6-methoxy-3-pyridinyl)-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (CID 59984490) is 5-fluoro-N-(6-methoxy-3-pyridinyl)-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-(6-methoxy-3-pyridinyl)-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-(6-methoxy-3-pyridinyl)-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cc(F)cnc2Oc2cccc(SC)c2)cn1.
What is the InChIKey of 5-fluoro-N-(6-methoxy-3-pyridinyl)-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The InChIKey is HVWVGLAUFRVBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-25-17-7-6-13(11-21-17)23-18(24)16-8-12(20)10-22-19(16)26-14-4-3-5-15(9-14)27-2/h3-11H,1-2H3,(H,23,24).
What are the key properties of 5-fluoro-N-(6-methoxy-3-pyridinyl)-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
5-fluoro-N-(6-methoxy-3-pyridinyl)-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(6-methoxy-3-pyridinyl)-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 59984490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).