6-chloro-3-[2-[3-(methylcarbamoyl)phenyl]ethylamino]pyridazine-4-carboxamide

C15H16ClN5O2 — CID 133340689

IUPAC6-chloro-3-[2-[3-(methylcarbamoyl)phenyl]ethylamino]pyridazine-4-carboxamide
SMILESCNC(=O)c1cccc(CCNc2nnc(Cl)cc2C(N)=O)c1
InChIInChI=1S/C15H16ClN5O2/c1-18-15(23)10-4-2-3-9(7-10)5-6-19-14-11(13(17)22)8-12(16)20-21-14/h2-4,7-8H,5-6H2,1H3,(H2,17,22)(H,18,23)(H,19,21)
InChIKeyBBJBUPMZSNPGNG-UHFFFAOYSA-N
MW333.78 g/mol
LogP1.24
Rot. Bonds6

About 6-chloro-3-[2-[3-(methylcarbamoyl)phenyl]ethylamino]pyridazine-4-carboxamide

6-chloro-3-[2-[3-(methylcarbamoyl)phenyl]ethylamino]pyridazine-4-carboxamide (PubChem CID 133340689) has the molecular formula C15H16ClN5O2 and a molecular weight of 333.78 g/mol. Its IUPAC name is 6-chloro-3-[2-[3-(methylcarbamoyl)phenyl]ethylamino]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[2-[3-(methylcarbamoyl)phenyl]ethylamino]pyridazine-4-carboxamide
PubChem CID133340689
Molecular FormulaC15H16ClN5O2
Molecular Weight333.78 g/mol
Exact Mass333.10
IUPAC Name6-chloro-3-[2-[3-(methylcarbamoyl)phenyl]ethylamino]pyridazine-4-carboxamide
SMILESCNC(=O)c1cccc(CCNc2nnc(Cl)cc2C(N)=O)c1
InChIInChI=1S/C15H16ClN5O2/c1-18-15(23)10-4-2-3-9(7-10)5-6-19-14-11(13(17)22)8-12(16)20-21-14/h2-4,7-8H,5-6H2,1H3,(H2,17,22)(H,18,23)(H,19,21)
InChIKeyBBJBUPMZSNPGNG-UHFFFAOYSA-N
XLogP1.24
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-[2-[3-(methylcarbamoyl)phenyl]ethylamino]pyridazine-4-carboxamide 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

N-methyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide
CID 133394287
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide
CID 62315021
3-ethyl-N-methylbenzamide
CID 59115297
3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide
CID 120593008
N-methyl-3-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]benzamide
CID 111634033
3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride
CID 120593007
2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 154628241
3-[2-[[N-[2-(2-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111632638
tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832
3-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111817647
N-methyl-3-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]benzamide
CID 111987971

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-[3-(methylcarbamoyl)phenyl]ethylamino]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[2-[3-(methylcarbamoyl)phenyl]ethylamino]pyridazine-4-carboxamide (CID 133340689) is 6-chloro-3-[2-[3-(methylcarbamoyl)phenyl]ethylamino]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[2-[3-(methylcarbamoyl)phenyl]ethylamino]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[2-[3-(methylcarbamoyl)phenyl]ethylamino]pyridazine-4-carboxamide is CNC(=O)c1cccc(CCNc2nnc(Cl)cc2C(N)=O)c1.
What is the InChIKey of 6-chloro-3-[2-[3-(methylcarbamoyl)phenyl]ethylamino]pyridazine-4-carboxamide?
The InChIKey is BBJBUPMZSNPGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2/c1-18-15(23)10-4-2-3-9(7-10)5-6-19-14-11(13(17)22)8-12(16)20-21-14/h2-4,7-8H,5-6H2,1H3,(H2,17,22)(H,18,23)(H,19,21).
What are the key properties of 6-chloro-3-[2-[3-(methylcarbamoyl)phenyl]ethylamino]pyridazine-4-carboxamide?
6-chloro-3-[2-[3-(methylcarbamoyl)phenyl]ethylamino]pyridazine-4-carboxamide has a molecular weight of 333.78 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-[3-(methylcarbamoyl)phenyl]ethylamino]pyridazine-4-carboxamide is sourced from PubChem (CID 133340689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).