5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide

C10H14ClN3O2S — CID 114089576

IUPAC5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(CS(C)=O)NC(=O)c1cc(Cl)ncc1N
InChIInChI=1S/C10H14ClN3O2S/c1-6(5-17(2)16)14-10(15)7-3-9(11)13-4-8(7)12/h3-4,6H,5,12H2,1-2H3,(H,14,15)
InChIKeySOEYBDCFBFODSG-UHFFFAOYSA-N
MW275.76 g/mol
LogP0.81
Rot. Bonds4

About 5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide

5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 114089576) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
PubChem CID114089576
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(CS(C)=O)NC(=O)c1cc(Cl)ncc1N
InChIInChI=1S/C10H14ClN3O2S/c1-6(5-17(2)16)14-10(15)7-3-9(11)13-4-8(7)12/h3-4,6H,5,12H2,1-2H3,(H,14,15)
InChIKeySOEYBDCFBFODSG-UHFFFAOYSA-N
XLogP0.81
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
CID 114918896
5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
CID 114089452
5-amino-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-4-carboxamide
CID 114089562
5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide
CID 114089470
5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114158282
1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one
CID 118065331
5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide
CID 114089535
5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 114089506
2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 114924604
2-amino-6-ethyl-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
CID 113486728
2-chloro-N-(1-methylsulfinylpropan-2-yl)-4-nitrobenzamide
CID 113415401
3-chloro-2-methyl-N-(1-methylsulfinylpropan-2-yl)-5-sulfamoylbenzamide
CID 107101053

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide (CID 114089576) is 5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide is CC(CS(C)=O)NC(=O)c1cc(Cl)ncc1N.
What is the InChIKey of 5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is SOEYBDCFBFODSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-6(5-17(2)16)14-10(15)7-3-9(11)13-4-8(7)12/h3-4,6H,5,12H2,1-2H3,(H,14,15).
What are the key properties of 5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide?
5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 275.76 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114089576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).