4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide

C20H27N3O4 — CID 71830821

IUPAC4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide
SMILESCOc1ccc(-c2nn(CCCC(=O)NCC(C)C)c(=O)cc2OC)cc1
InChIInChI=1S/C20H27N3O4/c1-14(2)13-21-18(24)6-5-11-23-19(25)12-17(27-4)20(22-23)15-7-9-16(26-3)10-8-15/h7-10,12,14H,5-6,11,13H2,1-4H3,(H,21,24)
InChIKeyDWOOTODJNNTSCX-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.48
Rot. Bonds9

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

4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide (PubChem CID 71830821) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide
PubChem CID71830821
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide
SMILESCOc1ccc(-c2nn(CCCC(=O)NCC(C)C)c(=O)cc2OC)cc1
InChIInChI=1S/C20H27N3O4/c1-14(2)13-21-18(24)6-5-11-23-19(25)12-17(27-4)20(22-23)15-7-9-16(26-3)10-8-15/h7-10,12,14H,5-6,11,13H2,1-4H3,(H,21,24)
InChIKeyDWOOTODJNNTSCX-UHFFFAOYSA-N
XLogP2.48
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one
CID 71830838
2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)propanamide
CID 71830722
5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)pyridazin-3-one
CID 71830824
N-(3-cyanophenyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 71830816
5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one
CID 71830829
3-[[2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 91954798
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885044
N-ethyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 71830715
N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885171
(2R)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide
CID 97416197

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide?
The IUPAC name of 4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide (CID 71830821) is 4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide?
The canonical SMILES for 4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide is COc1ccc(-c2nn(CCCC(=O)NCC(C)C)c(=O)cc2OC)cc1.
What is the InChIKey of 4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide?
The InChIKey is DWOOTODJNNTSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-14(2)13-21-18(24)6-5-11-23-19(25)12-17(27-4)20(22-23)15-7-9-16(26-3)10-8-15/h7-10,12,14H,5-6,11,13H2,1-4H3,(H,21,24).
What are the key properties of 4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide?
4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide has a molecular weight of 373.45 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 71830821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).