N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide

C17H21ClN4O — CID 109124842

IUPACN-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(NCCc2cccc(Cl)c2)nn1
InChIInChI=1S/C17H21ClN4O/c1-17(2,3)20-16(23)14-7-8-15(22-21-14)19-10-9-12-5-4-6-13(18)11-12/h4-8,11H,9-10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyZMVLFOYDYFBLRT-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.31
Rot. Bonds5

About N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide

N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide (PubChem CID 109124842) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide
PubChem CID109124842
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC NameN-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(NCCc2cccc(Cl)c2)nn1
InChIInChI=1S/C17H21ClN4O/c1-17(2,3)20-16(23)14-7-8-15(22-21-14)19-10-9-12-5-4-6-13(18)11-12/h4-8,11H,9-10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyZMVLFOYDYFBLRT-UHFFFAOYSA-N
XLogP3.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109118859
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide
CID 109112342
N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113787
6-[2-(3-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
CID 109126313
N-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122361
N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide
CID 113045233
N-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109121554
N-(3-chlorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115247
N-(3-chlorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122239
1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea
CID 113045279
N-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109126338
N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 113200400

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide?
The IUPAC name of N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide (CID 109124842) is N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide is CC(C)(C)NC(=O)c1ccc(NCCc2cccc(Cl)c2)nn1.
What is the InChIKey of N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide?
The InChIKey is ZMVLFOYDYFBLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-17(2,3)20-16(23)14-7-8-15(22-21-14)19-10-9-12-5-4-6-13(18)11-12/h4-8,11H,9-10H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide?
N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109124842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).