3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide

C12H18FN3O2S — CID 105387416

IUPAC3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NCCS(C)=O)c1F
InChIInChI=1S/C12H18FN3O2S/c1-3-5-14-11-10(13)9(4-6-15-11)12(17)16-7-8-19(2)18/h4,6H,3,5,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyGPNJYOUONRFQSP-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.15
Rot. Bonds7

About 3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide

3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide (PubChem CID 105387416) has the molecular formula C12H18FN3O2S and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide
PubChem CID105387416
Molecular FormulaC12H18FN3O2S
Molecular Weight287.36 g/mol
Exact Mass287.11
IUPAC Name3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NCCS(C)=O)c1F
InChIInChI=1S/C12H18FN3O2S/c1-3-5-14-11-10(13)9(4-6-15-11)12(17)16-7-8-19(2)18/h4,6H,3,5,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyGPNJYOUONRFQSP-UHFFFAOYSA-N
XLogP1.15
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105384157
N-[2-(ethylamino)-2-oxoethyl]-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384867
3-fluoro-N-[2-(furan-2-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 105385394
N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384839
N-(2-cyclopropylpropyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387388
3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 105386261
3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 105387666
3-fluoro-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 105385866
3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 105386738
3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide
CID 105385116
3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 106408130
3-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 105385645

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide (CID 105387416) is 3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide is CCCNc1nccc(C(=O)NCCS(C)=O)c1F.
What is the InChIKey of 3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is GPNJYOUONRFQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S/c1-3-5-14-11-10(13)9(4-6-15-11)12(17)16-7-8-19(2)18/h4,6H,3,5,7-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide?
3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105387416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).