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

C20H26N4O — CID 113044083

IUPACN-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(NCCCc2ccccc2)nn1)C1CCCCC1
InChIInChI=1S/C20H26N4O/c25-20(17-11-5-2-6-12-17)22-19-14-13-18(23-24-19)21-15-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,13-14,17H,2,5-7,10-12,15H2,(H,21,23)(H,22,24,25)
InChIKeyFURAKRUCGCGBJD-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.04
Rot. Bonds7

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

N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclohexanecarboxamide (PubChem CID 113044083) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclohexanecarboxamide
PubChem CID113044083
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(NCCCc2ccccc2)nn1)C1CCCCC1
InChIInChI=1S/C20H26N4O/c25-20(17-11-5-2-6-12-17)22-19-14-13-18(23-24-19)21-15-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,13-14,17H,2,5-7,10-12,15H2,(H,21,23)(H,22,24,25)
InChIKeyFURAKRUCGCGBJD-UHFFFAOYSA-N
XLogP4.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.04
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]cyclopropanecarboxamide
CID 113044080
N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclohexanecarboxamide
CID 113042641
2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide
CID 113044086
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
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042762
N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113042141
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]cyclohexanecarboxamide
CID 113041668
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
3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044097

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclohexanecarboxamide (CID 113044083) is N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclohexanecarboxamide is O=C(Nc1ccc(NCCCc2ccccc2)nn1)C1CCCCC1.
What is the InChIKey of N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclohexanecarboxamide?
The InChIKey is FURAKRUCGCGBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-20(17-11-5-2-6-12-17)22-19-14-13-18(23-24-19)21-15-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,13-14,17H,2,5-7,10-12,15H2,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclohexanecarboxamide?
N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclohexanecarboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.04, 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]cyclohexanecarboxamide is sourced from PubChem (CID 113044083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).