N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide

C22H21ClN4O3 — CID 16884702

IUPACN-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c1
InChIInChI=1S/C22H21ClN4O3/c1-15(28)24-18-4-2-5-19(14-18)25-21(29)6-3-13-27-22(30)12-11-20(26-27)16-7-9-17(23)10-8-16/h2,4-5,7-12,14H,3,6,13H2,1H3,(H,24,28)(H,25,29)
InChIKeyHQOJVVVEYJKCHT-UHFFFAOYSA-N
MW424.89 g/mol
LogP3.94
Rot. Bonds7

About N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide

N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 16884702) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID16884702
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC NameN-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c1
InChIInChI=1S/C22H21ClN4O3/c1-15(28)24-18-4-2-5-19(14-18)25-21(29)6-3-13-27-22(30)12-11-20(26-27)16-7-9-17(23)10-8-16/h2,4-5,7-12,14H,3,6,13H2,1H3,(H,24,28)(H,25,29)
InChIKeyHQOJVVVEYJKCHT-UHFFFAOYSA-N
XLogP3.94
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(diethylamino)phenyl]butanamide
CID 16884592
N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884859
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide
CID 16884953
N-(3,4-difluorophenyl)-4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884903
N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884517
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3,5-dichlorophenyl)butanamide
CID 16884822
N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659832
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 16884961
N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884468
N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885171
4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide
CID 16884696
N-(2,3-dimethylphenyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885730

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide (CID 16884702) is N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide is CC(=O)Nc1cccc(NC(=O)CCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is HQOJVVVEYJKCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c1-15(28)24-18-4-2-5-19(14-18)25-21(29)6-3-13-27-22(30)12-11-20(26-27)16-7-9-17(23)10-8-16/h2,4-5,7-12,14H,3,6,13H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide?
N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 424.89 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 16884702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).