ethyl 2-[cyclopentyl(methyl)amino]-5-(dimethylsulfamoyl)pyridine-3-carboxylate

C16H25N3O4S — CID 162747457

IUPACethyl 2-[cyclopentyl(methyl)amino]-5-(dimethylsulfamoyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)N(C)C)cnc1N(C)C1CCCC1
InChIInChI=1S/C16H25N3O4S/c1-5-23-16(20)14-10-13(24(21,22)18(2)3)11-17-15(14)19(4)12-8-6-7-9-12/h10-12H,5-9H2,1-4H3
InChIKeyWYWTZTPEEKLXOR-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.89
Rot. Bonds6

About ethyl 2-[cyclopentyl(methyl)amino]-5-(dimethylsulfamoyl)pyridine-3-carboxylate

ethyl 2-[cyclopentyl(methyl)amino]-5-(dimethylsulfamoyl)pyridine-3-carboxylate (PubChem CID 162747457) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is ethyl 2-[cyclopentyl(methyl)amino]-5-(dimethylsulfamoyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[cyclopentyl(methyl)amino]-5-(dimethylsulfamoyl)pyridine-3-carboxylate
PubChem CID162747457
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Nameethyl 2-[cyclopentyl(methyl)amino]-5-(dimethylsulfamoyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)N(C)C)cnc1N(C)C1CCCC1
InChIInChI=1S/C16H25N3O4S/c1-5-23-16(20)14-10-13(24(21,22)18(2)3)11-17-15(14)19(4)12-8-6-7-9-12/h10-12H,5-9H2,1-4H3
InChIKeyWYWTZTPEEKLXOR-UHFFFAOYSA-N
XLogP1.89
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[cyclopentyl(methyl)amino]-5-(dimethylsulfamoyl)pyridine-3-carboxylate 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

ethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate
CID 114090073
ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate
CID 61305640
ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 51330478
ethyl 2-(bromomethyl)-5-(dimethylsulfamoyl)benzoate
CID 70539801
ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate
CID 107193832
ethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate
CID 115933967
ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
CID 114047105
ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 51330519
ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate
CID 114047032
ethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylate
CID 22267580
ethyl 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylate
CID 45107020
[2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 4544453

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopentyl(methyl)amino]-5-(dimethylsulfamoyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[cyclopentyl(methyl)amino]-5-(dimethylsulfamoyl)pyridine-3-carboxylate (CID 162747457) is ethyl 2-[cyclopentyl(methyl)amino]-5-(dimethylsulfamoyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[cyclopentyl(methyl)amino]-5-(dimethylsulfamoyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[cyclopentyl(methyl)amino]-5-(dimethylsulfamoyl)pyridine-3-carboxylate is CCOC(=O)c1cc(S(=O)(=O)N(C)C)cnc1N(C)C1CCCC1.
What is the InChIKey of ethyl 2-[cyclopentyl(methyl)amino]-5-(dimethylsulfamoyl)pyridine-3-carboxylate?
The InChIKey is WYWTZTPEEKLXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-5-23-16(20)14-10-13(24(21,22)18(2)3)11-17-15(14)19(4)12-8-6-7-9-12/h10-12H,5-9H2,1-4H3.
What are the key properties of ethyl 2-[cyclopentyl(methyl)amino]-5-(dimethylsulfamoyl)pyridine-3-carboxylate?
ethyl 2-[cyclopentyl(methyl)amino]-5-(dimethylsulfamoyl)pyridine-3-carboxylate has a molecular weight of 355.46 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopentyl(methyl)amino]-5-(dimethylsulfamoyl)pyridine-3-carboxylate is sourced from PubChem (CID 162747457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).