2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-chlorophenyl)butanamide

C22H21ClN4O3 — CID 50813124

IUPAC2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-chlorophenyl)butanamide
SMILESCCC(C(=O)Nc1ccccc1Cl)n1nc(-c2ccccc2)cc(NC(C)=O)c1=O
InChIInChI=1S/C22H21ClN4O3/c1-3-20(21(29)25-17-12-8-7-11-16(17)23)27-22(30)19(24-14(2)28)13-18(26-27)15-9-5-4-6-10-15/h4-13,20H,3H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyUDMVJICCYZTIQV-UHFFFAOYSA-N
MW424.89 g/mol
LogP4.11
Rot. Bonds6

About 2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-chlorophenyl)butanamide

2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-chlorophenyl)butanamide (PubChem CID 50813124) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is 2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-chlorophenyl)butanamide.

Molecular Properties

Compound Name2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-chlorophenyl)butanamide
PubChem CID50813124
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC Name2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-chlorophenyl)butanamide
SMILESCCC(C(=O)Nc1ccccc1Cl)n1nc(-c2ccccc2)cc(NC(C)=O)c1=O
InChIInChI=1S/C22H21ClN4O3/c1-3-20(21(29)25-17-12-8-7-11-16(17)23)27-22(30)19(24-14(2)28)13-18(26-27)15-9-5-4-6-10-15/h4-13,20H,3H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyUDMVJICCYZTIQV-UHFFFAOYSA-N
XLogP4.11
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]butanamide
CID 50813191
(2S)-2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
CID 95054473
(2R)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]-N-phenylbutanamide
CID 95054506
N-(2-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 46263010
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
(2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2-ethylphenyl)propanamide
CID 94069808
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
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 50813030
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide
CID 50812937
(2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 92735315

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-chlorophenyl)butanamide?
The IUPAC name of 2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-chlorophenyl)butanamide (CID 50813124) is 2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-chlorophenyl)butanamide.
What is the SMILES notation for 2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-chlorophenyl)butanamide?
The canonical SMILES for 2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-chlorophenyl)butanamide is CCC(C(=O)Nc1ccccc1Cl)n1nc(-c2ccccc2)cc(NC(C)=O)c1=O.
What is the InChIKey of 2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-chlorophenyl)butanamide?
The InChIKey is UDMVJICCYZTIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c1-3-20(21(29)25-17-12-8-7-11-16(17)23)27-22(30)19(24-14(2)28)13-18(26-27)15-9-5-4-6-10-15/h4-13,20H,3H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-chlorophenyl)butanamide?
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-chlorophenyl)butanamide has a molecular weight of 424.89 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-chlorophenyl)butanamide is sourced from PubChem (CID 50813124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).