N-(3-cyanophenyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide

C23H22N4O4 — CID 71830816

IUPACN-(3-cyanophenyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCOc1ccc(-c2nn(CCCC(=O)Nc3cccc(C#N)c3)c(=O)cc2OC)cc1
InChIInChI=1S/C23H22N4O4/c1-30-19-10-8-17(9-11-19)23-20(31-2)14-22(29)27(26-23)12-4-7-21(28)25-18-6-3-5-16(13-18)15-24/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,25,28)
InChIKeyYQRXBNQQQOIPHJ-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.22
Rot. Bonds8

About N-(3-cyanophenyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide

N-(3-cyanophenyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 71830816) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID71830816
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-(3-cyanophenyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCOc1ccc(-c2nn(CCCC(=O)Nc3cccc(C#N)c3)c(=O)cc2OC)cc1
InChIInChI=1S/C23H22N4O4/c1-30-19-10-8-17(9-11-19)23-20(31-2)14-22(29)27(26-23)12-4-7-21(28)25-18-6-3-5-16(13-18)15-24/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,25,28)
InChIKeyYQRXBNQQQOIPHJ-UHFFFAOYSA-N
XLogP3.22
TPSA106.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-cyanophenyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 71830846
N-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 71830851
4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide
CID 71830821
N-(3-cyanophenyl)-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108955950
5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)pyridazin-3-one
CID 71830824
5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one
CID 71830838
N-(3-cyanophenyl)-4-(6-oxopyrimidin-1-yl)butanamide
CID 63768672
N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885171
N-(3-cyanophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 110428502
N-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110428452
5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one
CID 71830829
N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884439

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of N-(3-cyanophenyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide (CID 71830816) is N-(3-cyanophenyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for N-(3-cyanophenyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide is COc1ccc(-c2nn(CCCC(=O)Nc3cccc(C#N)c3)c(=O)cc2OC)cc1.
What is the InChIKey of N-(3-cyanophenyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is YQRXBNQQQOIPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-30-19-10-8-17(9-11-19)23-20(31-2)14-22(29)27(26-23)12-4-7-21(28)25-18-6-3-5-16(13-18)15-24/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,25,28).
What are the key properties of N-(3-cyanophenyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
N-(3-cyanophenyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 418.45 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 71830816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).