2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide

C11H16ClN3O2S — CID 113480509

IUPAC2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCCS(C)=O)cc(Cl)n1
InChIInChI=1S/C11H16ClN3O2S/c1-3-13-10-7-8(6-9(12)15-10)11(16)14-4-5-18(2)17/h6-7H,3-5H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyOEELWEHBAAZBBL-UHFFFAOYSA-N
MW289.79 g/mol
LogP1.28
Rot. Bonds6

About 2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide

2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide (PubChem CID 113480509) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
PubChem CID113480509
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCCS(C)=O)cc(Cl)n1
InChIInChI=1S/C11H16ClN3O2S/c1-3-13-10-7-8(6-9(12)15-10)11(16)14-4-5-18(2)17/h6-7H,3-5H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyOEELWEHBAAZBBL-UHFFFAOYSA-N
XLogP1.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.28
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-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 115631265
2-chloro-6-(ethylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 62175036
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
N-(2-butoxyethyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62178841
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 106241191
2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 113464140
5-chloro-2-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 114924532
2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide
CID 62165976
2-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-4-carboxamide
CID 62175112
2-chloro-N-(2-methylsulfanylethyl)-6-(propylamino)pyridine-4-carboxamide
CID 63963791
2-chloro-6-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 55046147

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide (CID 113480509) is 2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide is CCNc1cc(C(=O)NCCS(C)=O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide?
The InChIKey is OEELWEHBAAZBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-3-13-10-7-8(6-9(12)15-10)11(16)14-4-5-18(2)17/h6-7H,3-5H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide?
2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide has a molecular weight of 289.79 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 113480509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).