6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide

C18H23ClN4O — CID 109123350

IUPAC6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(NCCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C18H23ClN4O/c1-2-3-4-12-21-18(24)16-9-10-17(23-22-16)20-13-11-14-5-7-15(19)8-6-14/h5-10H,2-4,11-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyRBTHZZWPFKOPIU-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.70
Rot. Bonds9

About 6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide

6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide (PubChem CID 109123350) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide
PubChem CID109123350
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(NCCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C18H23ClN4O/c1-2-3-4-12-21-18(24)16-9-10-17(23-22-16)20-13-11-14-5-7-15(19)8-6-14/h5-10H,2-4,11-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyRBTHZZWPFKOPIU-UHFFFAOYSA-N
XLogP3.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109110630
6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111206
N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109119889
6-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109121995
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760
N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118017
6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114295
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-[(4-chlorophenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114103
N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124516
2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088529
6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
CID 109109114

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide?
The IUPAC name of 6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide (CID 109123350) is 6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide is CCCCCNC(=O)c1ccc(NCCc2ccc(Cl)cc2)nn1.
What is the InChIKey of 6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide?
The InChIKey is RBTHZZWPFKOPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-2-3-4-12-21-18(24)16-9-10-17(23-22-16)20-13-11-14-5-7-15(19)8-6-14/h5-10H,2-4,11-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide?
6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide is sourced from PubChem (CID 109123350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).