[3-(dimethylsulfamoyl)phenyl]methyl 2-aminopyridine-3-carboxylate

C15H17N3O4S — CID 4783547

IUPAC[3-(dimethylsulfamoyl)phenyl]methyl 2-aminopyridine-3-carboxylate
SMILESCN(C)S(=O)(=O)c1cccc(COC(=O)c2cccnc2N)c1
InChIInChI=1S/C15H17N3O4S/c1-18(2)23(20,21)12-6-3-5-11(9-12)10-22-15(19)13-7-4-8-17-14(13)16/h3-9H,10H2,1-2H3,(H2,16,17)
InChIKeyUGLMJTVAQPLHGB-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.27
Rot. Bonds5

About [3-(dimethylsulfamoyl)phenyl]methyl 2-aminopyridine-3-carboxylate

[3-(dimethylsulfamoyl)phenyl]methyl 2-aminopyridine-3-carboxylate (PubChem CID 4783547) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is [3-(dimethylsulfamoyl)phenyl]methyl 2-aminopyridine-3-carboxylate.

Molecular Properties

Compound Name[3-(dimethylsulfamoyl)phenyl]methyl 2-aminopyridine-3-carboxylate
PubChem CID4783547
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name[3-(dimethylsulfamoyl)phenyl]methyl 2-aminopyridine-3-carboxylate
SMILESCN(C)S(=O)(=O)c1cccc(COC(=O)c2cccnc2N)c1
InChIInChI=1S/C15H17N3O4S/c1-18(2)23(20,21)12-6-3-5-11(9-12)10-22-15(19)13-7-4-8-17-14(13)16/h3-9H,10H2,1-2H3,(H2,16,17)
InChIKeyUGLMJTVAQPLHGB-UHFFFAOYSA-N
XLogP1.27
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-aminopyridine-3-carboxylate
CID 12433260
2-Cyanobenzyl 2-aminonicotinate
CID 1512224
Ethyl 6-Aminonicotinate
CID 235927
Methyl 4-{[(phenylsulfonyl)(2-pyridinyl)amino]methyl}benzoate
CID 1352622
[3-(Dimethylsulfamoyl)phenyl]methyl 2-chloropyridine-3-carboxylate
CID 2128134
Ethyl 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoate
CID 3890303
ethyl 1,2,5-trimethyl-4-[(pyridin-2-ylamino)sulfonyl]-1H-pyrrole-3-carboxylate
CID 20927343
3-(Pyridin-2-ylsulfamoyl)-benzoic acid
CID 1133456
Ethyl 1,2,5-trimethyl-4-[(5-methylpyridin-2-YL)sulfamoyl]-1H-pyrrole-3-carboxylate
CID 20927249
Methyl 4-[[2-(dimethylamino)-3-pyridinyl]methylsulfamoyl]benzoate
CID 39660457
2-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]ethyl pyridine-3-carboxylate
CID 135417057
1-Cyclohexyloxycarbonyloxyethyl 6-aminopyridine-3-carboxylate
CID 168281541

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylsulfamoyl)phenyl]methyl 2-aminopyridine-3-carboxylate?
The IUPAC name of [3-(dimethylsulfamoyl)phenyl]methyl 2-aminopyridine-3-carboxylate (CID 4783547) is [3-(dimethylsulfamoyl)phenyl]methyl 2-aminopyridine-3-carboxylate.
What is the SMILES notation for [3-(dimethylsulfamoyl)phenyl]methyl 2-aminopyridine-3-carboxylate?
The canonical SMILES for [3-(dimethylsulfamoyl)phenyl]methyl 2-aminopyridine-3-carboxylate is CN(C)S(=O)(=O)c1cccc(COC(=O)c2cccnc2N)c1.
What is the InChIKey of [3-(dimethylsulfamoyl)phenyl]methyl 2-aminopyridine-3-carboxylate?
The InChIKey is UGLMJTVAQPLHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-18(2)23(20,21)12-6-3-5-11(9-12)10-22-15(19)13-7-4-8-17-14(13)16/h3-9H,10H2,1-2H3,(H2,16,17).
What are the key properties of [3-(dimethylsulfamoyl)phenyl]methyl 2-aminopyridine-3-carboxylate?
[3-(dimethylsulfamoyl)phenyl]methyl 2-aminopyridine-3-carboxylate has a molecular weight of 335.39 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylsulfamoyl)phenyl]methyl 2-aminopyridine-3-carboxylate is sourced from PubChem (CID 4783547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).