4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide

C21H22N4O3 — CID 16885051

IUPAC4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3ccccn3)n2)cc1
InChIInChI=1S/C21H22N4O3/c1-28-18-9-7-16(8-10-18)19-11-12-21(27)25(24-19)14-4-6-20(26)23-15-17-5-2-3-13-22-17/h2-3,5,7-13H,4,6,14-15H2,1H3,(H,23,26)
InChIKeyMDGCAGRAGCVNEV-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.41
Rot. Bonds8

About 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide

4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 16885051) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide
PubChem CID16885051
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3ccccn3)n2)cc1
InChIInChI=1S/C21H22N4O3/c1-28-18-9-7-16(8-10-18)19-11-12-21(27)25(24-19)14-4-6-20(26)23-15-17-5-2-3-13-22-17/h2-3,5,7-13H,4,6,14-15H2,1H3,(H,23,26)
InChIKeyMDGCAGRAGCVNEV-UHFFFAOYSA-N
XLogP2.41
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)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-chlorophenyl)methyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885126
3-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 71825211
N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884439
N-[(4-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885202
2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide
CID 16885167
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 5156979
2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 52899767
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide
CID 16885602
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885044
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
CID 16885563
N-[(2-chlorophenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885281
4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide
CID 16885732

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide (CID 16885051) is 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide is COc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3ccccn3)n2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is MDGCAGRAGCVNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-28-18-9-7-16(8-10-18)19-11-12-21(27)25(24-19)14-4-6-20(26)23-15-17-5-2-3-13-22-17/h2-3,5,7-13H,4,6,14-15H2,1H3,(H,23,26).
What are the key properties of 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide?
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 378.43 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 16885051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).