methyl 6-[2-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate

C20H22N4O6S — CID 3604391

IUPACmethyl 6-[2-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCCN2C(=O)CN(C)S(=O)(=O)c2ccccc2)nc1
InChIInChI=1S/C20H22N4O6S/c1-22(31(28,29)16-7-4-3-5-8-16)14-18(25)23-11-6-12-24(23)19(26)17-10-9-15(13-21-17)20(27)30-2/h3-5,7-10,13H,6,11-12,14H2,1-2H3
InChIKeyMZYMIYWRXKXKBM-UHFFFAOYSA-N
MW446.49 g/mol
LogP0.78
Rot. Bonds6

About methyl 6-[2-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate

methyl 6-[2-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate (PubChem CID 3604391) has the molecular formula C20H22N4O6S and a molecular weight of 446.49 g/mol. Its IUPAC name is methyl 6-[2-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate
PubChem CID3604391
Molecular FormulaC20H22N4O6S
Molecular Weight446.49 g/mol
Exact Mass446.13
IUPAC Namemethyl 6-[2-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCCN2C(=O)CN(C)S(=O)(=O)c2ccccc2)nc1
InChIInChI=1S/C20H22N4O6S/c1-22(31(28,29)16-7-4-3-5-8-16)14-18(25)23-11-6-12-24(23)19(26)17-10-9-15(13-21-17)20(27)30-2/h3-5,7-10,13H,6,11-12,14H2,1-2H3
InChIKeyMZYMIYWRXKXKBM-UHFFFAOYSA-N
XLogP0.78
TPSA117.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 6-[2-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrazolidine-1-carbonyl]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

methyl 6-[2-(2-cyanoacetyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3791112
N-methyl-N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 4991946
methyl 6-[2-(2-ethoxyacetyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3446587
methyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3777676
methyl 6-[2-[2-(5-bromo-3-pyridinyl)acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3814607
methyl 6-[2-(2-methylpropylcarbamothioyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3545228
methyl 6-[2-[2-([1,2,4]triazolo[3,4-c][1,2,4]benzotriazin-1-ylsulfanyl)acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 23965656
methyl 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzoate
CID 119967426
methyl 6-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylate
CID 87046966
methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
CID 31676778
methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 33364889
methyl 6-[4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate
CID 3793031

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate (CID 3604391) is methyl 6-[2-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)N2CCCN2C(=O)CN(C)S(=O)(=O)c2ccccc2)nc1.
What is the InChIKey of methyl 6-[2-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate?
The InChIKey is MZYMIYWRXKXKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O6S/c1-22(31(28,29)16-7-4-3-5-8-16)14-18(25)23-11-6-12-24(23)19(26)17-10-9-15(13-21-17)20(27)30-2/h3-5,7-10,13H,6,11-12,14H2,1-2H3.
What are the key properties of methyl 6-[2-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate?
methyl 6-[2-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate has a molecular weight of 446.49 g/mol, XLogP of 0.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate is sourced from PubChem (CID 3604391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).