N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenylpyridazin-3-yl]-2-methylpropanamide

C21H20ClN3O2 — CID 2035531

IUPACN-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenylpyridazin-3-yl]-2-methylpropanamide
SMILESCc1nn(-c2ccc(Cl)cc2)c(NC(=O)C(C)C)c(-c2ccccc2)c1=O
InChIInChI=1S/C21H20ClN3O2/c1-13(2)21(27)23-20-18(15-7-5-4-6-8-15)19(26)14(3)24-25(20)17-11-9-16(22)10-12-17/h4-13H,1-3H3,(H,23,27)
InChIKeyYXYDOHCIUVPJMZ-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.46
Rot. Bonds4

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

N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenylpyridazin-3-yl]-2-methylpropanamide (PubChem CID 2035531) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenylpyridazin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenylpyridazin-3-yl]-2-methylpropanamide
PubChem CID2035531
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenylpyridazin-3-yl]-2-methylpropanamide
SMILESCc1nn(-c2ccc(Cl)cc2)c(NC(=O)C(C)C)c(-c2ccccc2)c1=O
InChIInChI=1S/C21H20ClN3O2/c1-13(2)21(27)23-20-18(15-7-5-4-6-8-15)19(26)14(3)24-25(20)17-11-9-16(22)10-12-17/h4-13H,1-3H3,(H,23,27)
InChIKeyYXYDOHCIUVPJMZ-UHFFFAOYSA-N
XLogP4.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(6-methyl-5-oxo-2,4-diphenylpyridazin-3-yl)benzamide
CID 2031982
N-[2-(3-chlorophenyl)-4-(2-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]-2-methylpropanamide
CID 2030440
5-[[1-(4-chlorophenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-5-oxopentanoate
CID 7207474
N-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide
CID 2033424
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-phenylbenzamide
CID 46334913
N-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide
CID 2030297
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide
CID 46334908
N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide
CID 2033226
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-[(2S)-butan-2-yl]benzamide
CID 92873034
4-methyl-N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4656985
2-[(3-chloro-4-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 3977163
N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide
CID 24628215

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenylpyridazin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenylpyridazin-3-yl]-2-methylpropanamide (CID 2035531) is N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenylpyridazin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenylpyridazin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenylpyridazin-3-yl]-2-methylpropanamide is Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)C(C)C)c(-c2ccccc2)c1=O.
What is the InChIKey of N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenylpyridazin-3-yl]-2-methylpropanamide?
The InChIKey is YXYDOHCIUVPJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-13(2)21(27)23-20-18(15-7-5-4-6-8-15)19(26)14(3)24-25(20)17-11-9-16(22)10-12-17/h4-13H,1-3H3,(H,23,27).
What are the key properties of N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenylpyridazin-3-yl]-2-methylpropanamide?
N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenylpyridazin-3-yl]-2-methylpropanamide has a molecular weight of 381.86 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenylpyridazin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 2035531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).