6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide

C10H15N3O2S — CID 115631413

IUPAC6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide
SMILESCS(=O)CCCNc1ccc(C(N)=O)cn1
InChIInChI=1S/C10H15N3O2S/c1-16(15)6-2-5-12-9-4-3-8(7-13-9)10(11)14/h3-4,7H,2,5-6H2,1H3,(H2,11,14)(H,12,13)
InChIKeyDOAFLJLWUNSXDU-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.36
Rot. Bonds6

About 6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide

6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide (PubChem CID 115631413) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide
PubChem CID115631413
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide
SMILESCS(=O)CCCNc1ccc(C(N)=O)cn1
InChIInChI=1S/C10H15N3O2S/c1-16(15)6-2-5-12-9-4-3-8(7-13-9)10(11)14/h3-4,7H,2,5-6H2,1H3,(H2,11,14)(H,12,13)
InChIKeyDOAFLJLWUNSXDU-UHFFFAOYSA-N
XLogP0.36
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(3-methylsulfinylpropylamino)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

6-(hexylamino)pyridine-3-carboxamide
CID 112722796
6-(4-hydroxybutylamino)pyridine-3-carboxamide
CID 106842705
6-(5-methylhexylamino)pyridine-3-carboxamide
CID 79003295
6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 62663227
3-amino-4-(3-methylsulfinylpropylamino)benzamide
CID 113487205
6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide
CID 79830819
6-(2-phenylsulfanylethylamino)pyridine-3-carboxamide
CID 112722874
methyl 6-(3-methylsulfinylpropylamino)pyridazine-3-carboxylate
CID 115631415
N-(3-methylsulfinylpropyl)pyrazin-2-amine
CID 115631383
6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide
CID 103705247
6-(2-methoxypropylamino)pyridine-3-carboxamide
CID 102699145
6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carboxamide
CID 64541071

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide (CID 115631413) is 6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide is CS(=O)CCCNc1ccc(C(N)=O)cn1.
What is the InChIKey of 6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide?
The InChIKey is DOAFLJLWUNSXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-16(15)6-2-5-12-9-4-3-8(7-13-9)10(11)14/h3-4,7H,2,5-6H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide?
6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 115631413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).