N-(2-chlorophenyl)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]butanamide

C24H25ClN4O3 — CID 50813191

IUPACN-(2-chlorophenyl)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]butanamide
SMILESCCC(C(=O)Nc1ccccc1Cl)n1nc(-c2ccccc2)cc(NC(=O)C(C)C)c1=O
InChIInChI=1S/C24H25ClN4O3/c1-4-21(23(31)26-18-13-9-8-12-17(18)25)29-24(32)20(27-22(30)15(2)3)14-19(28-29)16-10-6-5-7-11-16/h5-15,21H,4H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyOWCUFKSPGSZSAB-UHFFFAOYSA-N
MW452.94 g/mol
LogP4.75
Rot. Bonds7

About N-(2-chlorophenyl)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]butanamide

N-(2-chlorophenyl)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]butanamide (PubChem CID 50813191) has the molecular formula C24H25ClN4O3 and a molecular weight of 452.94 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]butanamide
PubChem CID50813191
Molecular FormulaC24H25ClN4O3
Molecular Weight452.94 g/mol
Exact Mass452.16
IUPAC NameN-(2-chlorophenyl)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]butanamide
SMILESCCC(C(=O)Nc1ccccc1Cl)n1nc(-c2ccccc2)cc(NC(=O)C(C)C)c1=O
InChIInChI=1S/C24H25ClN4O3/c1-4-21(23(31)26-18-13-9-8-12-17(18)25)29-24(32)20(27-22(30)15(2)3)14-19(28-29)16-10-6-5-7-11-16/h5-15,21H,4H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyOWCUFKSPGSZSAB-UHFFFAOYSA-N
XLogP4.75
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-chlorophenyl)butanamide
CID 50813124
(2R)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]-N-phenylbutanamide
CID 95054506
(2S)-2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
CID 95054473
N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 46263010
(2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2-ethylphenyl)propanamide
CID 94069808
2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50813225
N-[2-[2-(2-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]benzamide
CID 50812970
(2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 28623281
N-[2-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide
CID 50813236
N-[2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide
CID 50813235
N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 25249749
(2R)-N-(2,4-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 28623427

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]butanamide?
The IUPAC name of N-(2-chlorophenyl)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]butanamide (CID 50813191) is N-(2-chlorophenyl)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]butanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]butanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]butanamide is CCC(C(=O)Nc1ccccc1Cl)n1nc(-c2ccccc2)cc(NC(=O)C(C)C)c1=O.
What is the InChIKey of N-(2-chlorophenyl)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]butanamide?
The InChIKey is OWCUFKSPGSZSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3/c1-4-21(23(31)26-18-13-9-8-12-17(18)25)29-24(32)20(27-22(30)15(2)3)14-19(28-29)16-10-6-5-7-11-16/h5-15,21H,4H2,1-3H3,(H,26,31)(H,27,30).
What are the key properties of N-(2-chlorophenyl)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]butanamide?
N-(2-chlorophenyl)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]butanamide has a molecular weight of 452.94 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]butanamide is sourced from PubChem (CID 50813191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).