4-[[5-(4-fluorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide

C24H26FN5O4 — CID 46148120

IUPAC4-[[5-(4-fluorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCn1ncc(Oc2ccc(F)cc2)c(Nc2ccc(C(=O)NCCN3CCOCC3)cc2)c1=O
InChIInChI=1S/C24H26FN5O4/c1-29-24(32)22(21(16-27-29)34-20-8-4-18(25)5-9-20)28-19-6-2-17(3-7-19)23(31)26-10-11-30-12-14-33-15-13-30/h2-9,16,28H,10-15H2,1H3,(H,26,31)
InChIKeyGABFRUWMFSOGQQ-UHFFFAOYSA-N
MW467.50 g/mol
LogP2.52
Rot. Bonds8

About 4-[[5-(4-fluorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide

4-[[5-(4-fluorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 46148120) has the molecular formula C24H26FN5O4 and a molecular weight of 467.50 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[[5-(4-fluorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID46148120
Molecular FormulaC24H26FN5O4
Molecular Weight467.50 g/mol
Exact Mass467.20
IUPAC Name4-[[5-(4-fluorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCn1ncc(Oc2ccc(F)cc2)c(Nc2ccc(C(=O)NCCN3CCOCC3)cc2)c1=O
InChIInChI=1S/C24H26FN5O4/c1-29-24(32)22(21(16-27-29)34-20-8-4-18(25)5-9-20)28-19-6-2-17(3-7-19)23(31)26-10-11-30-12-14-33-15-13-30/h2-9,16,28H,10-15H2,1H3,(H,26,31)
InChIKeyGABFRUWMFSOGQQ-UHFFFAOYSA-N
XLogP2.52
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[[5-(4-fluorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide (CID 46148120) is 4-[[5-(4-fluorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[[5-(4-fluorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[[5-(4-fluorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide is Cn1ncc(Oc2ccc(F)cc2)c(Nc2ccc(C(=O)NCCN3CCOCC3)cc2)c1=O.
What is the InChIKey of 4-[[5-(4-fluorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is GABFRUWMFSOGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4/c1-29-24(32)22(21(16-27-29)34-20-8-4-18(25)5-9-20)28-19-6-2-17(3-7-19)23(31)26-10-11-30-12-14-33-15-13-30/h2-9,16,28H,10-15H2,1H3,(H,26,31).
What are the key properties of 4-[[5-(4-fluorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
4-[[5-(4-fluorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 467.50 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 46148120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).