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

C26H32N4O4 — CID 16885370

IUPACN-[4-(diethylamino)phenyl]-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCCN(CC)c1ccc(NC(=O)CCCn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)cc1
InChIInChI=1S/C26H32N4O4/c1-5-29(6-2)21-12-10-20(11-13-21)27-25(31)8-7-17-30-26(32)16-14-22(28-30)19-9-15-23(33-3)24(18-19)34-4/h9-16,18H,5-8,17H2,1-4H3,(H,27,31)
InChIKeyNAPJLQMCTNXLEW-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.19
Rot. Bonds11

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

N-[4-(diethylamino)phenyl]-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 16885370) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID16885370
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-[4-(diethylamino)phenyl]-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCCN(CC)c1ccc(NC(=O)CCCn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)cc1
InChIInChI=1S/C26H32N4O4/c1-5-29(6-2)21-12-10-20(11-13-21)27-25(31)8-7-17-30-26(32)16-14-22(28-30)19-9-15-23(33-3)24(18-19)34-4/h9-16,18H,5-8,17H2,1-4H3,(H,27,31)
InChIKeyNAPJLQMCTNXLEW-UHFFFAOYSA-N
XLogP4.19
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide
CID 16885465
N-(3-chloro-4-methylphenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885434
4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(diethylamino)phenyl]butanamide
CID 16884592
N-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885406
4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide
CID 16885474
N-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224542
4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)butanamide
CID 16885379
N-(4-butylphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659999
N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885171
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(dimethylamino)phenyl]butanamide
CID 16884811
N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884439
4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 16885460

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide (CID 16885370) is N-[4-(diethylamino)phenyl]-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide is CCN(CC)c1ccc(NC(=O)CCCn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is NAPJLQMCTNXLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-5-29(6-2)21-12-10-20(11-13-21)27-25(31)8-7-17-30-26(32)16-14-22(28-30)19-9-15-23(33-3)24(18-19)34-4/h9-16,18H,5-8,17H2,1-4H3,(H,27,31).
What are the key properties of N-[4-(diethylamino)phenyl]-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
N-[4-(diethylamino)phenyl]-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 464.57 g/mol, XLogP of 4.19, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 16885370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).