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

C20H27N3O4 — CID 71830851

IUPACN-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCCCCNC(=O)CCCn1nc(-c2ccc(OC)cc2)c(OC)cc1=O
InChIInChI=1S/C20H27N3O4/c1-4-5-12-21-18(24)7-6-13-23-19(25)14-17(27-3)20(22-23)15-8-10-16(26-2)11-9-15/h8-11,14H,4-7,12-13H2,1-3H3,(H,21,24)
InChIKeyBGHDDTDFAIKTQK-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.62
Rot. Bonds10

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

N-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 71830851) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID71830851
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCCCCNC(=O)CCCn1nc(-c2ccc(OC)cc2)c(OC)cc1=O
InChIInChI=1S/C20H27N3O4/c1-4-5-12-21-18(24)7-6-13-23-19(25)14-17(27-3)20(22-23)15-8-10-16(26-2)11-9-15/h8-11,14H,4-7,12-13H2,1-3H3,(H,21,24)
InChIKeyBGHDDTDFAIKTQK-UHFFFAOYSA-N
XLogP2.62
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 71830846
4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide
CID 71830821
N-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938943
5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one
CID 71830838
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
3-[[2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 91954798
5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one
CID 71830829
N-[3-(3-fluorophenyl)propyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 91954627
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885044
N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]pentanamide
CID 121078640
N-ethyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 71830715

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of N-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide (CID 71830851) is N-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for N-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for N-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide is CCCCNC(=O)CCCn1nc(-c2ccc(OC)cc2)c(OC)cc1=O.
What is the InChIKey of N-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is BGHDDTDFAIKTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-4-5-12-21-18(24)7-6-13-23-19(25)14-17(27-3)20(22-23)15-8-10-16(26-2)11-9-15/h8-11,14H,4-7,12-13H2,1-3H3,(H,21,24).
What are the key properties of N-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
N-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 373.45 g/mol, XLogP of 2.62, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 71830851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).