2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide

C23H24N4O3 — CID 646912

IUPAC2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C23H24N4O3/c1-17-4-2-3-5-20(17)21-10-11-23(29)27(25-21)16-22(28)24-18-6-8-19(9-7-18)26-12-14-30-15-13-26/h2-11H,12-16H2,1H3,(H,24,28)
InChIKeyWHBRNQUOJFIMRM-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.69
Rot. Bonds5

About 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide

2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 646912) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID646912
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C23H24N4O3/c1-17-4-2-3-5-20(17)21-10-11-23(29)27(25-21)16-22(28)24-18-6-8-19(9-7-18)26-12-14-30-15-13-26/h2-11H,12-16H2,1H3,(H,24,28)
InChIKeyWHBRNQUOJFIMRM-UHFFFAOYSA-N
XLogP2.69
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-{4-[2-(3-Methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetylamino]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester
CID 652457
3-morpholin-4-ylpropyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 59849760
2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 1309824
3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide
CID 90408635
N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 90409627
4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90410070
3-[(dimethylamino)methyl]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzamide
CID 117609601
1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
CID 117609853
N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide
CID 1308958
N-[5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]acetamide
CID 1848318
N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]propanamide
CID 1853751
N-(2-morpholin-4-ylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2677643

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide (CID 646912) is 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide is Cc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is WHBRNQUOJFIMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-17-4-2-3-5-20(17)21-10-11-23(29)27(25-21)16-22(28)24-18-6-8-19(9-7-18)26-12-14-30-15-13-26/h2-11H,12-16H2,1H3,(H,24,28).
What are the key properties of 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 404.47 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 646912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).