N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide

C17H20N4O — CID 113044080

IUPACN-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NCCCc2ccccc2)nn1)C1CC1
InChIInChI=1S/C17H20N4O/c22-17(14-8-9-14)19-16-11-10-15(20-21-16)18-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,10-11,14H,4,7-9,12H2,(H,18,20)(H,19,21,22)
InChIKeyZRGHCCOXKCTJGY-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.87
Rot. Bonds7

About N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide

N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 113044080) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID113044080
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NCCCc2ccccc2)nn1)C1CC1
InChIInChI=1S/C17H20N4O/c22-17(14-8-9-14)19-16-11-10-15(20-21-16)18-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,10-11,14H,4,7-9,12H2,(H,18,20)(H,19,21,22)
InChIKeyZRGHCCOXKCTJGY-UHFFFAOYSA-N
XLogP2.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.87
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

N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclohexanecarboxamide
CID 113044083
2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide
CID 113044086
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042762
2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide
CID 113044121
4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044092
N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124516
4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149515
3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044091
3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044099
N-[4-(2-phenylethylamino)phenyl]cyclopropanecarboxamide
CID 28660333
3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044097
4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149531

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide (CID 113044080) is N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide is O=C(Nc1ccc(NCCCc2ccccc2)nn1)C1CC1.
What is the InChIKey of N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is ZRGHCCOXKCTJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(14-8-9-14)19-16-11-10-15(20-21-16)18-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,10-11,14H,4,7-9,12H2,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide?
N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 113044080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).