N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide

C17H19N3O2 — CID 18589504

IUPACN-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide
SMILESCc1ccc(-c2ccc(OCCNC(=O)C3CC3)nn2)cc1
InChIInChI=1S/C17H19N3O2/c1-12-2-4-13(5-3-12)15-8-9-16(20-19-15)22-11-10-18-17(21)14-6-7-14/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,18,21)
InChIKeyBKYDOKOGTXUMCS-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.36
Rot. Bonds6

About N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide

N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide (PubChem CID 18589504) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide
PubChem CID18589504
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide
SMILESCc1ccc(-c2ccc(OCCNC(=O)C3CC3)nn2)cc1
InChIInChI=1S/C17H19N3O2/c1-12-2-4-13(5-3-12)15-8-9-16(20-19-15)22-11-10-18-17(21)14-6-7-14/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,18,21)
InChIKeyBKYDOKOGTXUMCS-UHFFFAOYSA-N
XLogP2.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide
CID 18589518
3-methyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide
CID 26845123
2-(3,4-dimethoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide
CID 26845125
3-(4-methoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]propanamide
CID 18589523
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide
CID 113101778
1-(6-phenylpyridazin-3-yl)-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-4-carboxamide
CID 121072092
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 121071116
3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246365
N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-9H-xanthene-9-carboxamide
CID 22585389
2-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide
CID 18589538
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide
CID 121072176
N-[2-[[ethylamino-[2-(4-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111277131

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide (CID 18589504) is N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide is Cc1ccc(-c2ccc(OCCNC(=O)C3CC3)nn2)cc1.
What is the InChIKey of N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide?
The InChIKey is BKYDOKOGTXUMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-2-4-13(5-3-12)15-8-9-16(20-19-15)22-11-10-18-17(21)14-6-7-14/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,18,21).
What are the key properties of N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide?
N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide is sourced from PubChem (CID 18589504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).