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

C24H27ClN4O2 — CID 16884592

IUPAC4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(diethylamino)phenyl]butanamide
SMILESCCN(CC)c1ccc(NC(=O)CCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1
InChIInChI=1S/C24H27ClN4O2/c1-3-28(4-2)21-13-11-20(12-14-21)26-23(30)6-5-17-29-24(31)16-15-22(27-29)18-7-9-19(25)10-8-18/h7-16H,3-6,17H2,1-2H3,(H,26,30)
InChIKeyIEDQIAJECJETSN-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.83
Rot. Bonds9

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

4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(diethylamino)phenyl]butanamide (PubChem CID 16884592) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(diethylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(diethylamino)phenyl]butanamide
PubChem CID16884592
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(diethylamino)phenyl]butanamide
SMILESCCN(CC)c1ccc(NC(=O)CCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1
InChIInChI=1S/C24H27ClN4O2/c1-3-28(4-2)21-13-11-20(12-14-21)26-23(30)6-5-17-29-24(31)16-15-22(27-29)18-7-9-19(25)10-8-18/h7-16H,3-6,17H2,1-2H3,(H,26,30)
InChIKeyIEDQIAJECJETSN-UHFFFAOYSA-N
XLogP4.83
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885370
N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884702
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(dimethylamino)phenyl]butanamide
CID 16884811
N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884859
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3,5-dichlorophenyl)butanamide
CID 16884822
N-(3,4-difluorophenyl)-4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884903
N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659832
N-(4-chlorophenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7663387
N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884439
N-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885622
4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide
CID 16885013
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 16885105

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(diethylamino)phenyl]butanamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(diethylamino)phenyl]butanamide (CID 16884592) is 4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(diethylamino)phenyl]butanamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(diethylamino)phenyl]butanamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(diethylamino)phenyl]butanamide is CCN(CC)c1ccc(NC(=O)CCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(diethylamino)phenyl]butanamide?
The InChIKey is IEDQIAJECJETSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-3-28(4-2)21-13-11-20(12-14-21)26-23(30)6-5-17-29-24(31)16-15-22(27-29)18-7-9-19(25)10-8-18/h7-16H,3-6,17H2,1-2H3,(H,26,30).
What are the key properties of 4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(diethylamino)phenyl]butanamide?
4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(diethylamino)phenyl]butanamide has a molecular weight of 438.96 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(diethylamino)phenyl]butanamide is sourced from PubChem (CID 16884592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).