N,N-diethyl-3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]benzamide

C22H24N4O2 — CID 6411211

IUPACN,N-diethyl-3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(Nc2ccc(-c3ccccc3OC)nn2)c1
InChIInChI=1S/C22H24N4O2/c1-4-26(5-2)22(27)16-9-8-10-17(15-16)23-21-14-13-19(24-25-21)18-11-6-7-12-20(18)28-3/h6-15H,4-5H2,1-3H3,(H,23,25)
InChIKeyVHNDALWASAQXAJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.38
Rot. Bonds7

About N,N-diethyl-3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]benzamide

N,N-diethyl-3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]benzamide (PubChem CID 6411211) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N,N-diethyl-3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]benzamide
PubChem CID6411211
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN,N-diethyl-3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(Nc2ccc(-c3ccccc3OC)nn2)c1
InChIInChI=1S/C22H24N4O2/c1-4-26(5-2)22(27)16-9-8-10-17(15-16)23-21-14-13-19(24-25-21)18-11-6-7-12-20(18)28-3/h6-15H,4-5H2,1-3H3,(H,23,25)
InChIKeyVHNDALWASAQXAJ-UHFFFAOYSA-N
XLogP4.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]benzamide (CID 6411211) is N,N-diethyl-3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]benzamide is CCN(CC)C(=O)c1cccc(Nc2ccc(-c3ccccc3OC)nn2)c1.
What is the InChIKey of N,N-diethyl-3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]benzamide?
The InChIKey is VHNDALWASAQXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-26(5-2)22(27)16-9-8-10-17(15-16)23-21-14-13-19(24-25-21)18-11-6-7-12-20(18)28-3/h6-15H,4-5H2,1-3H3,(H,23,25).
What are the key properties of N,N-diethyl-3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]benzamide?
N,N-diethyl-3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]benzamide has a molecular weight of 376.46 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]benzamide is sourced from PubChem (CID 6411211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).