6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide

C21H21ClN4O — CID 109118859

IUPAC6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(NCCc2cccc(Cl)c2)nn1)c1ccccc1
InChIInChI=1S/C21H21ClN4O/c1-15(17-7-3-2-4-8-17)24-21(27)19-10-11-20(26-25-19)23-13-12-16-6-5-9-18(22)14-16/h2-11,14-15H,12-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyZGRYEKVKDYOLFU-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.28
Rot. Bonds7

About 6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide

6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide (PubChem CID 109118859) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide
PubChem CID109118859
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(NCCc2cccc(Cl)c2)nn1)c1ccccc1
InChIInChI=1S/C21H21ClN4O/c1-15(17-7-3-2-4-8-17)24-21(27)19-10-11-20(26-25-19)23-13-12-16-6-5-9-18(22)14-16/h2-11,14-15H,12-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyZGRYEKVKDYOLFU-UHFFFAOYSA-N
XLogP4.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-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-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109124842
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide
CID 109112342
N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113787
N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide
CID 113045233
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
3-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)propanamide
CID 109020118
6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360655
N-(2,5-dimethylphenyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109121554
N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109119889
N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 113200400
N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109273196

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide (CID 109118859) is 6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide is CC(NC(=O)c1ccc(NCCc2cccc(Cl)c2)nn1)c1ccccc1.
What is the InChIKey of 6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide?
The InChIKey is ZGRYEKVKDYOLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-15(17-7-3-2-4-8-17)24-21(27)19-10-11-20(26-25-19)23-13-12-16-6-5-9-18(22)14-16/h2-11,14-15H,12-13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide?
6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109118859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).