4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide

C22H23N3O3 — CID 41089364

IUPAC4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(-c3ccc(OC)nn3)c2)cc1
InChIInChI=1S/C22H23N3O3/c1-3-4-14-28-19-10-8-16(9-11-19)22(26)23-18-7-5-6-17(15-18)20-12-13-21(27-2)25-24-20/h5-13,15H,3-4,14H2,1-2H3,(H,23,26)
InChIKeyTZUQBCUKEWSSTC-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.58
Rot. Bonds8

About 4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide

4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide (PubChem CID 41089364) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
PubChem CID41089364
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(-c3ccc(OC)nn3)c2)cc1
InChIInChI=1S/C22H23N3O3/c1-3-4-14-28-19-10-8-16(9-11-19)22(26)23-18-7-5-6-17(15-18)20-12-13-21(27-2)25-24-20/h5-13,15H,3-4,14H2,1-2H3,(H,23,26)
InChIKeyTZUQBCUKEWSSTC-UHFFFAOYSA-N
XLogP4.58
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methoxybenzamide
CID 7422519
4-fluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7422514
4-butoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532442
3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593494
4-ethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593586
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478576
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080161
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide
CID 122285167
4-butoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055735
4-butoxy-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055736

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide (CID 41089364) is 4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2cccc(-c3ccc(OC)nn3)c2)cc1.
What is the InChIKey of 4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide?
The InChIKey is TZUQBCUKEWSSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-4-14-28-19-10-8-16(9-11-19)22(26)23-18-7-5-6-17(15-18)20-12-13-21(27-2)25-24-20/h5-13,15H,3-4,14H2,1-2H3,(H,23,26).
What are the key properties of 4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide?
4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 41089364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).