2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide

C13H19ClN2O2S — CID 113493444

IUPAC2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC(C)CCS(C)=O)cc(Cl)n1
InChIInChI=1S/C13H19ClN2O2S/c1-4-11-7-10(8-12(14)16-11)13(17)15-9(2)5-6-19(3)18/h7-9H,4-6H2,1-3H3,(H,15,17)
InChIKeyRFWHEMWQUULAPJ-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.18
Rot. Bonds6

About 2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide

2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide (PubChem CID 113493444) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
PubChem CID113493444
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC(C)CCS(C)=O)cc(Cl)n1
InChIInChI=1S/C13H19ClN2O2S/c1-4-11-7-10(8-12(14)16-11)13(17)15-9(2)5-6-19(3)18/h7-9H,4-6H2,1-3H3,(H,15,17)
InChIKeyRFWHEMWQUULAPJ-UHFFFAOYSA-N
XLogP2.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-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-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide
CID 115673226
2-amino-6-ethyl-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
CID 113486728
2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 103108307
2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 106156530
N-[(1S)-1-(4-bromophenyl)ethyl]-2-chloro-6-ethylpyridine-4-carboxamide
CID 107869123
3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid
CID 103602717
2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide
CID 113477234
2,6-dichloro-N-pent-4-yn-2-ylpyridine-4-carboxamide
CID 115661799
2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
CID 114174171
2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide
CID 62155359
5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 113248423
2-chloro-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 107862756

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide (CID 113493444) is 2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide is CCc1cc(C(=O)NC(C)CCS(C)=O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide?
The InChIKey is RFWHEMWQUULAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-4-11-7-10(8-12(14)16-11)13(17)15-9(2)5-6-19(3)18/h7-9H,4-6H2,1-3H3,(H,15,17).
What are the key properties of 2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide?
2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide has a molecular weight of 302.83 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 113493444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).