6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide

C16H21N5O3S — CID 109109114

IUPAC6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nn1
InChIInChI=1S/C16H21N5O3S/c1-2-10-18-15-8-7-14(20-21-15)16(22)19-11-9-12-3-5-13(6-4-12)25(17,23)24/h3-8H,2,9-11H2,1H3,(H,18,21)(H,19,22)(H2,17,23,24)
InChIKeyIPWDLCOQFWYXKW-UHFFFAOYSA-N
MW363.44 g/mol
LogP0.92
Rot. Bonds8

About 6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide

6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 109109114) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
PubChem CID109109114
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nn1
InChIInChI=1S/C16H21N5O3S/c1-2-10-18-15-8-7-14(20-21-15)16(22)19-11-9-12-3-5-13(6-4-12)25(17,23)24/h3-8H,2,9-11H2,1H3,(H,18,21)(H,19,22)(H2,17,23,24)
InChIKeyIPWDLCOQFWYXKW-UHFFFAOYSA-N
XLogP0.92
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109110630
6-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339858
5-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-2-carboxamide
CID 109180864
N-[2-(methylsulfamoyl)ethyl]-6-(propylamino)pyridazine-3-carboxamide
CID 106342494
N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
CID 165352801
6-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 62186107
6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide
CID 109123350
N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62175032
6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109364662
6-(3-methylbutylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109352290

Frequently Asked Questions

What is the IUPAC name of 6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide (CID 109109114) is 6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide is CCCNc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nn1.
What is the InChIKey of 6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is IPWDLCOQFWYXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-2-10-18-15-8-7-14(20-21-15)16(22)19-11-9-12-3-5-13(6-4-12)25(17,23)24/h3-8H,2,9-11H2,1H3,(H,18,21)(H,19,22)(H2,17,23,24).
What are the key properties of 6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide?
6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 0.92, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109109114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).