3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide

C20H26N4O2 — CID 122556166

IUPAC3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide
SMILESCNc1ccc(-c2cccc(C(=O)NCCCCC3CCCO3)c2)nn1
InChIInChI=1S/C20H26N4O2/c1-21-19-11-10-18(23-24-19)15-6-4-7-16(14-15)20(25)22-12-3-2-8-17-9-5-13-26-17/h4,6-7,10-11,14,17H,2-3,5,8-9,12-13H2,1H3,(H,21,24)(H,22,25)
InChIKeyCHHUNGKFRVJJBC-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.26
Rot. Bonds8

About 3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide

3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide (PubChem CID 122556166) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide.

Molecular Properties

Compound Name3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide
PubChem CID122556166
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide
SMILESCNc1ccc(-c2cccc(C(=O)NCCCCC3CCCO3)c2)nn1
InChIInChI=1S/C20H26N4O2/c1-21-19-11-10-18(23-24-19)15-6-4-7-16(14-15)20(25)22-12-3-2-8-17-9-5-13-26-17/h4,6-7,10-11,14,17H,2-3,5,8-9,12-13H2,1H3,(H,21,24)(H,22,25)
InChIKeyCHHUNGKFRVJJBC-UHFFFAOYSA-N
XLogP3.26
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 118773753
3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125436416
3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126450624
3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 118788734
3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126424383
2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide
CID 131899729
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882471
4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 91781260
6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide
CID 135119031
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
6-(3-bromophenyl)-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 55631668
3-methyl-4-(methylamino)-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 55164039

Frequently Asked Questions

What is the IUPAC name of 3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide?
The IUPAC name of 3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide (CID 122556166) is 3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide.
What is the SMILES notation for 3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide?
The canonical SMILES for 3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide is CNc1ccc(-c2cccc(C(=O)NCCCCC3CCCO3)c2)nn1.
What is the InChIKey of 3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide?
The InChIKey is CHHUNGKFRVJJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-21-19-11-10-18(23-24-19)15-6-4-7-16(14-15)20(25)22-12-3-2-8-17-9-5-13-26-17/h4,6-7,10-11,14,17H,2-3,5,8-9,12-13H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide?
3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide is sourced from PubChem (CID 122556166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).