1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide

C22H22N4O3 — CID 51157406

IUPAC1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C22H22N4O3/c27-21-11-10-19(24-26(21)16-17-6-2-1-3-7-17)22(28)23-18-8-4-5-9-20(18)25-12-14-29-15-13-25/h1-11H,12-16H2,(H,23,28)
InChIKeyOBZLUDSCOMFATN-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.38
Rot. Bonds5

About 1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide

1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 51157406) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID51157406
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C22H22N4O3/c27-21-11-10-19(24-26(21)16-17-6-2-1-3-7-17)22(28)23-18-8-4-5-9-20(18)25-12-14-29-15-13-25/h1-11H,12-16H2,(H,23,28)
InChIKeyOBZLUDSCOMFATN-UHFFFAOYSA-N
XLogP2.38
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-morpholin-4-yl-6-oxopyridazine-3-carboxamide
CID 2469379
1-benzyl-N-(2-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 42993626
1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide
CID 121067000
6-(diethylamino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109124354
4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-3-carboxylic acid
CID 154743508
6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109126611
6-(N-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109127197
N-(3-chloro-2-morpholin-4-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 24603947
N-(2-morpholin-4-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261816
1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 2635662
N-(6-acetyl-1,3-benzodioxol-5-yl)-1-benzyl-6-oxopyridazine-3-carboxamide
CID 42994663
2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108516948

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide (CID 51157406) is 1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide is O=C(Nc1ccccc1N1CCOCC1)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is OBZLUDSCOMFATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-21-11-10-19(24-26(21)16-17-6-2-1-3-7-17)22(28)23-18-8-4-5-9-20(18)25-12-14-29-15-13-25/h1-11H,12-16H2,(H,23,28).
What are the key properties of 1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide?
1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51157406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).