N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-4-morpholin-4-ylbenzamide

C22H22N4O3 — CID 72717788

IUPACN-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-4-morpholin-4-ylbenzamide
SMILESCn1nc(-c2ccccc2NC(=O)c2ccc(N3CCOCC3)cc2)ccc1=O
InChIInChI=1S/C22H22N4O3/c1-25-21(27)11-10-20(24-25)18-4-2-3-5-19(18)23-22(28)16-6-8-17(9-7-16)26-12-14-29-15-13-26/h2-11H,12-15H2,1H3,(H,23,28)
InChIKeyHPZITJHLJBZUTB-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.54
Rot. Bonds4

About N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-4-morpholin-4-ylbenzamide

N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-4-morpholin-4-ylbenzamide (PubChem CID 72717788) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-4-morpholin-4-ylbenzamide
PubChem CID72717788
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-4-morpholin-4-ylbenzamide
SMILESCn1nc(-c2ccccc2NC(=O)c2ccc(N3CCOCC3)cc2)ccc1=O
InChIInChI=1S/C22H22N4O3/c1-25-21(27)11-10-20(24-25)18-4-2-3-5-19(18)23-22(28)16-6-8-17(9-7-16)26-12-14-29-15-13-26/h2-11H,12-15H2,1H3,(H,23,28)
InChIKeyHPZITJHLJBZUTB-UHFFFAOYSA-N
XLogP2.54
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-morpholin-4-ylbenzamide
CID 121149343
N,N-diethyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 21367636
N-tert-butyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 21173543
N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 71805068
N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-morpholin-4-ylbenzamide
CID 71935706
2-[2-[[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamoyl]phenyl]benzoic acid
CID 24984100
N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405947
N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50776985
N-(2-acetyl-4-morpholin-4-ylphenyl)-4-phenylbenzamide
CID 71711464
N-(2-benzoyl-4-chlorophenyl)-4-morpholin-4-ylbenzamide
CID 21367719
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-4-morpholin-4-ylbenzamide (CID 72717788) is N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-4-morpholin-4-ylbenzamide is Cn1nc(-c2ccccc2NC(=O)c2ccc(N3CCOCC3)cc2)ccc1=O.
What is the InChIKey of N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-4-morpholin-4-ylbenzamide?
The InChIKey is HPZITJHLJBZUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-25-21(27)11-10-20(24-25)18-4-2-3-5-19(18)23-22(28)16-6-8-17(9-7-16)26-12-14-29-15-13-26/h2-11H,12-15H2,1H3,(H,23,28).
What are the key properties of N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-4-morpholin-4-ylbenzamide?
N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-4-morpholin-4-ylbenzamide has a molecular weight of 390.44 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 72717788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).