N-[2-(3-chlorophenyl)-4-(2-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-2-methylpropanamide

C22H22ClN3O3 — CID 2030440

IUPACN-[2-(3-chlorophenyl)-4-(2-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-2-methylpropanamide
SMILESCOc1ccccc1-c1c(NC(=O)C(C)C)n(-c2cccc(Cl)c2)nc(C)c1=O
InChIInChI=1S/C22H22ClN3O3/c1-13(2)22(28)24-21-19(17-10-5-6-11-18(17)29-4)20(27)14(3)25-26(21)16-9-7-8-15(23)12-16/h5-13H,1-4H3,(H,24,28)
InChIKeyKTLAPQZUWUMDPY-UHFFFAOYSA-N
MW411.89 g/mol
LogP4.46
Rot. Bonds5

About N-[2-(3-chlorophenyl)-4-(2-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-2-methylpropanamide

N-[2-(3-chlorophenyl)-4-(2-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-2-methylpropanamide (PubChem CID 2030440) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-4-(2-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-4-(2-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-2-methylpropanamide
PubChem CID2030440
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC NameN-[2-(3-chlorophenyl)-4-(2-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-2-methylpropanamide
SMILESCOc1ccccc1-c1c(NC(=O)C(C)C)n(-c2cccc(Cl)c2)nc(C)c1=O
InChIInChI=1S/C22H22ClN3O3/c1-13(2)22(28)24-21-19(17-10-5-6-11-18(17)29-4)20(27)14(3)25-26(21)16-9-7-8-15(23)12-16/h5-13H,1-4H3,(H,24,28)
InChIKeyKTLAPQZUWUMDPY-UHFFFAOYSA-N
XLogP4.46
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-chlorophenyl)-4-(2-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenylpyridazin-3-yl]-2-methylpropanamide
CID 2035531
N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide
CID 2033226
N-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide
CID 2033424
2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 9404832
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 55377190
1-(3-chlorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
CID 117123962
(2R)-N-[2-(3-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxypropanamide
CID 7096442
N-[2-(3-chlorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide
CID 2160362
[3-(2-methoxyphenyl)-4-[4-(2-methylpropanoylamino)phenyl]-1-phenylpyrazol-5-yl] acetate
CID 42838137
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide
CID 55480827
1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide
CID 50745403
(2R)-N-(3-chlorophenyl)-2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 2409555

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-4-(2-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(3-chlorophenyl)-4-(2-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-2-methylpropanamide (CID 2030440) is N-[2-(3-chlorophenyl)-4-(2-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-4-(2-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-4-(2-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-2-methylpropanamide is COc1ccccc1-c1c(NC(=O)C(C)C)n(-c2cccc(Cl)c2)nc(C)c1=O.
What is the InChIKey of N-[2-(3-chlorophenyl)-4-(2-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-2-methylpropanamide?
The InChIKey is KTLAPQZUWUMDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-13(2)22(28)24-21-19(17-10-5-6-11-18(17)29-4)20(27)14(3)25-26(21)16-9-7-8-15(23)12-16/h5-13H,1-4H3,(H,24,28).
What are the key properties of N-[2-(3-chlorophenyl)-4-(2-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-2-methylpropanamide?
N-[2-(3-chlorophenyl)-4-(2-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-2-methylpropanamide has a molecular weight of 411.89 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-4-(2-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 2030440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).