6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide

C11H19N5O3S — CID 106342396

IUPAC6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)NCCCNS(C)(=O)=O)nn1
InChIInChI=1S/C11H19N5O3S/c1-3-12-10-6-5-9(15-16-10)11(17)13-7-4-8-14-20(2,18)19/h5-6,14H,3-4,7-8H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyNDMYLHDPRNCDDA-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.42
Rot. Bonds8

About 6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide

6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide (PubChem CID 106342396) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide
PubChem CID106342396
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)NCCCNS(C)(=O)=O)nn1
InChIInChI=1S/C11H19N5O3S/c1-3-12-10-6-5-9(15-16-10)11(17)13-7-4-8-14-20(2,18)19/h5-6,14H,3-4,7-8H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyNDMYLHDPRNCDDA-UHFFFAOYSA-N
XLogP-0.42
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide
CID 106342410
N-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide
CID 62166382
6-[3-(methanesulfonamido)propylamino]pyridazine-3-carboxamide
CID 113246651
6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide
CID 113450833
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
6-(ethylamino)-N-[2-(ethylamino)-2-oxoethyl]pyridazine-3-carboxamide
CID 55047399
6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide
CID 62173719
6-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 62186107
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
6-(ethylamino)-N-[2-(2-methylphenyl)ethyl]pyridazine-3-carboxamide
CID 79756979
N-[2-[cyclopropyl(methyl)amino]ethyl]-6-(ethylamino)pyridazine-3-carboxamide
CID 55142201
N-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide
CID 106342397

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide (CID 106342396) is 6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide is CCNc1ccc(C(=O)NCCCNS(C)(=O)=O)nn1.
What is the InChIKey of 6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide?
The InChIKey is NDMYLHDPRNCDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-3-12-10-6-5-9(15-16-10)11(17)13-7-4-8-14-20(2,18)19/h5-6,14H,3-4,7-8H2,1-2H3,(H,12,16)(H,13,17).
What are the key properties of 6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide?
6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of -0.42, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide is sourced from PubChem (CID 106342396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).