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

C18H21ClN4O — CID 109112342

IUPAC6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(NCCc2cccc(Cl)c2)nn1
InChIInChI=1S/C18H21ClN4O/c19-14-5-3-4-13(12-14)10-11-20-17-9-8-16(22-23-17)18(24)21-15-6-1-2-7-15/h3-5,8-9,12,15H,1-2,6-7,10-11H2,(H,20,23)(H,21,24)
InChIKeyZHIZHRXUEXSFMJ-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.46
Rot. Bonds6

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

6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide (PubChem CID 109112342) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide
PubChem CID109112342
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(NCCc2cccc(Cl)c2)nn1
InChIInChI=1S/C18H21ClN4O/c19-14-5-3-4-13(12-14)10-11-20-17-9-8-16(22-23-17)18(24)21-15-6-1-2-7-15/h3-5,8-9,12,15H,1-2,6-7,10-11H2,(H,20,23)(H,21,24)
InChIKeyZHIZHRXUEXSFMJ-UHFFFAOYSA-N
XLogP3.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(3-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
CID 109182977
1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea
CID 113045279
N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109124842
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109298111
N-cyclopentyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109112300
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322171
N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109112282
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
CID 109247342
N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113787
6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109118859
6-[2-(3-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
CID 109126313
N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109113045

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide?
The IUPAC name of 6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide (CID 109112342) is 6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide is O=C(NC1CCCC1)c1ccc(NCCc2cccc(Cl)c2)nn1.
What is the InChIKey of 6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide?
The InChIKey is ZHIZHRXUEXSFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-14-5-3-4-13(12-14)10-11-20-17-9-8-16(22-23-17)18(24)21-15-6-1-2-7-15/h3-5,8-9,12,15H,1-2,6-7,10-11H2,(H,20,23)(H,21,24).
What are the key properties of 6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide?
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.46, 6 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-cyclopentylpyridazine-3-carboxamide is sourced from PubChem (CID 109112342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).