N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide

C15H15ClN4O — CID 113041596

IUPACN-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NCc2ccc(Cl)cc2)nn1)C1CC1
InChIInChI=1S/C15H15ClN4O/c16-12-5-1-10(2-6-12)9-17-13-7-8-14(20-19-13)18-15(21)11-3-4-11/h1-2,5-8,11H,3-4,9H2,(H,17,19)(H,18,20,21)
InChIKeyAIHHEIAFPSJQQA-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.09
Rot. Bonds5

About N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide

N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 113041596) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID113041596
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC NameN-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NCc2ccc(Cl)cc2)nn1)C1CC1
InChIInChI=1S/C15H15ClN4O/c16-12-5-1-10(2-6-12)9-17-13-7-8-14(20-19-13)18-15(21)11-3-4-11/h1-2,5-8,11H,3-4,9H2,(H,17,19)(H,18,20,21)
InChIKeyAIHHEIAFPSJQQA-UHFFFAOYSA-N
XLogP3.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041743
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide
CID 113041597
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide
CID 113041609
6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid
CID 60791679
azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]methanone
CID 109119827
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113041630
N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113042141
N-[6-(2-methylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113038436
2-chloro-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041470
2-(4-chlorophenyl)-N-[6-(cyclopropylamino)pyridazin-3-yl]acetamide
CID 113038076
N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113044080
6-[(4-chlorophenyl)methylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109119831

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide (CID 113041596) is N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide is O=C(Nc1ccc(NCc2ccc(Cl)cc2)nn1)C1CC1.
What is the InChIKey of N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is AIHHEIAFPSJQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c16-12-5-1-10(2-6-12)9-17-13-7-8-14(20-19-13)18-15(21)11-3-4-11/h1-2,5-8,11H,3-4,9H2,(H,17,19)(H,18,20,21).
What are the key properties of N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide?
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 302.76 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 113041596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).