N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide

C18H20ClN5O — CID 113043728

IUPACN-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)nn1)C1CC1
InChIInChI=1S/C18H20ClN5O/c19-14-2-1-3-15(12-14)23-8-10-24(11-9-23)17-7-6-16(21-22-17)20-18(25)13-4-5-13/h1-3,6-7,12-13H,4-5,8-11H2,(H,20,21,25)
InChIKeyHWZUXNOTHUBJHX-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.81
Rot. Bonds4

About N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide

N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 113043728) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID113043728
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC NameN-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)nn1)C1CC1
InChIInChI=1S/C18H20ClN5O/c19-14-2-1-3-15(12-14)23-8-10-24(11-9-23)17-7-6-16(21-22-17)20-18(25)13-4-5-13/h1-3,6-7,12-13H,4-5,8-11H2,(H,20,21,25)
InChIKeyHWZUXNOTHUBJHX-UHFFFAOYSA-N
XLogP2.81
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide
CID 113043644
3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113043115
N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide
CID 113029443
N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide
CID 113043638
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methanone
CID 121118770
[4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111774
azepan-1-yl-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]methanone
CID 109124006
N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide
CID 113043076
N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152865
1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea
CID 113014392
N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide
CID 113045448
N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]cyclopropanecarboxamide
CID 113045004

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide (CID 113043728) is N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide is O=C(Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)nn1)C1CC1.
What is the InChIKey of N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is HWZUXNOTHUBJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c19-14-2-1-3-15(12-14)23-8-10-24(11-9-23)17-7-6-16(21-22-17)20-18(25)13-4-5-13/h1-3,6-7,12-13H,4-5,8-11H2,(H,20,21,25).
What are the key properties of N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide?
N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 357.85 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 113043728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).