5-fluoro-2-(methylamino)-N-(3-methylsulfinylpropyl)pyridine-3-carboxamide

C11H16FN3O2S — CID 114035105

IUPAC5-fluoro-2-(methylamino)-N-(3-methylsulfinylpropyl)pyridine-3-carboxamide
SMILESCNc1ncc(F)cc1C(=O)NCCCS(C)=O
InChIInChI=1S/C11H16FN3O2S/c1-13-10-9(6-8(12)7-15-10)11(16)14-4-3-5-18(2)17/h6-7H,3-5H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyMSWQHQDSGRPVPT-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.76
Rot. Bonds6

About 5-fluoro-2-(methylamino)-N-(3-methylsulfinylpropyl)pyridine-3-carboxamide

5-fluoro-2-(methylamino)-N-(3-methylsulfinylpropyl)pyridine-3-carboxamide (PubChem CID 114035105) has the molecular formula C11H16FN3O2S and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-fluoro-2-(methylamino)-N-(3-methylsulfinylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-(methylamino)-N-(3-methylsulfinylpropyl)pyridine-3-carboxamide
PubChem CID114035105
Molecular FormulaC11H16FN3O2S
Molecular Weight273.33 g/mol
Exact Mass273.09
IUPAC Name5-fluoro-2-(methylamino)-N-(3-methylsulfinylpropyl)pyridine-3-carboxamide
SMILESCNc1ncc(F)cc1C(=O)NCCCS(C)=O
InChIInChI=1S/C11H16FN3O2S/c1-13-10-9(6-8(12)7-15-10)11(16)14-4-3-5-18(2)17/h6-7H,3-5H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyMSWQHQDSGRPVPT-UHFFFAOYSA-N
XLogP0.76
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-fluoro-2-(methylamino)-N-(3-methylsulfinylpropyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(methylamino)-N-(2-methylsulfinylethyl)isoquinoline-4-carboxamide
CID 106772837
3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide
CID 115646493
5-amino-2,4-difluoro-N-(3-methylsulfinylpropyl)benzamide
CID 113487107
3,5-dihydroxy-N-(3-methylsulfinylpropyl)benzamide
CID 103895676
5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 114034924
5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
CID 55047276
N-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide
CID 114034926
4-bromo-2,6-difluoro-N-[3-[(R)-methylsulfinyl]propyl]benzamide
CID 97051469
5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 114035058
2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide
CID 103893182
2-bromo-N-(3-methylsulfinylpropyl)benzamide
CID 115619981
5-amino-2,4-dimethyl-N-(3-methylsulfinylpropyl)benzamide
CID 102705947

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(methylamino)-N-(3-methylsulfinylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-2-(methylamino)-N-(3-methylsulfinylpropyl)pyridine-3-carboxamide (CID 114035105) is 5-fluoro-2-(methylamino)-N-(3-methylsulfinylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-(methylamino)-N-(3-methylsulfinylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-2-(methylamino)-N-(3-methylsulfinylpropyl)pyridine-3-carboxamide is CNc1ncc(F)cc1C(=O)NCCCS(C)=O.
What is the InChIKey of 5-fluoro-2-(methylamino)-N-(3-methylsulfinylpropyl)pyridine-3-carboxamide?
The InChIKey is MSWQHQDSGRPVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2S/c1-13-10-9(6-8(12)7-15-10)11(16)14-4-3-5-18(2)17/h6-7H,3-5H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 5-fluoro-2-(methylamino)-N-(3-methylsulfinylpropyl)pyridine-3-carboxamide?
5-fluoro-2-(methylamino)-N-(3-methylsulfinylpropyl)pyridine-3-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(methylamino)-N-(3-methylsulfinylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 114035105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).