[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone

C22H22N4O2 — CID 651806

IUPAC[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCc1ccccc1-c1ccc(Nc2ccc(C(=O)N3CCOCC3)cc2)nn1
InChIInChI=1S/C22H22N4O2/c1-16-4-2-3-5-19(16)20-10-11-21(25-24-20)23-18-8-6-17(7-9-18)22(27)26-12-14-28-15-13-26/h2-11H,12-15H2,1H3,(H,23,25)
InChIKeyXENRKJTZYKRBEM-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.67
Rot. Bonds4

About [4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone

[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 651806) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone
PubChem CID651806
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCc1ccccc1-c1ccc(Nc2ccc(C(=O)N3CCOCC3)cc2)nn1
InChIInChI=1S/C22H22N4O2/c1-16-4-2-3-5-19(16)20-10-11-21(25-24-20)23-18-8-6-17(7-9-18)22(27)26-12-14-28-15-13-26/h2-11H,12-15H2,1H3,(H,23,25)
InChIKeyXENRKJTZYKRBEM-UHFFFAOYSA-N
XLogP3.67
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone (CID 651806) is [4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone is Cc1ccccc1-c1ccc(Nc2ccc(C(=O)N3CCOCC3)cc2)nn1.
What is the InChIKey of [4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is XENRKJTZYKRBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16-4-2-3-5-19(16)20-10-11-21(25-24-20)23-18-8-6-17(7-9-18)22(27)26-12-14-28-15-13-26/h2-11H,12-15H2,1H3,(H,23,25).
What are the key properties of [4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone?
[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 374.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 651806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).