1-butyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-oxopyridazine-3-carboxamide

C18H21N3O4 — CID 51154813

IUPAC1-butyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCC2COc3ccccc3O2)ccc1=O
InChIInChI=1S/C18H21N3O4/c1-2-3-10-21-17(22)9-8-14(20-21)18(23)19-11-13-12-24-15-6-4-5-7-16(15)25-13/h4-9,13H,2-3,10-12H2,1H3,(H,19,23)
InChIKeyZYMHKFITYGAADC-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.61
Rot. Bonds6

About 1-butyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 51154813) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-butyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-oxopyridazine-3-carboxamide
PubChem CID51154813
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name1-butyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCC2COc3ccccc3O2)ccc1=O
InChIInChI=1S/C18H21N3O4/c1-2-3-10-21-17(22)9-8-14(20-21)18(23)19-11-13-12-24-15-6-4-5-7-16(15)25-13/h4-9,13H,2-3,10-12H2,1H3,(H,19,23)
InChIKeyZYMHKFITYGAADC-UHFFFAOYSA-N
XLogP1.61
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-butyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-oxopyridazine-3-carboxamide 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

2-butyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 17473468
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide
CID 47005050
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(propylamino)acetamide
CID 60687691
1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
CID 78774773
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide
CID 51233079
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[ethylsulfonyl(methyl)amino]benzamide
CID 100576926
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 9379896
1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 42161969
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 97123074
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-oxopyridazine-3-carboxamide (CID 51154813) is 1-butyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NCC2COc3ccccc3O2)ccc1=O.
What is the InChIKey of 1-butyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is ZYMHKFITYGAADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-2-3-10-21-17(22)9-8-14(20-21)18(23)19-11-13-12-24-15-6-4-5-7-16(15)25-13/h4-9,13H,2-3,10-12H2,1H3,(H,19,23).
What are the key properties of 1-butyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51154813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).