6-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide

C18H22N4O3 — CID 109125639

IUPAC6-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)nn1
InChIInChI=1S/C18H22N4O3/c1-3-4-9-22(2)17-8-6-14(20-21-17)18(23)19-13-5-7-15-16(12-13)25-11-10-24-15/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,23)
InChIKeyUPYDTGREWYDPRO-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.74
Rot. Bonds6

About 6-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide

6-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide (PubChem CID 109125639) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
PubChem CID109125639
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name6-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)nn1
InChIInChI=1S/C18H22N4O3/c1-3-4-9-22(2)17-8-6-14(20-21-17)18(23)19-13-5-7-15-16(12-13)25-11-10-24-15/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,23)
InChIKeyUPYDTGREWYDPRO-UHFFFAOYSA-N
XLogP2.74
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 109288431
6-[butyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109125613
4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide
CID 109217891
6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109125585
6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109125615
N-(1,3-benzodioxol-5-yl)-6-(butylamino)pyridazine-3-carboxamide
CID 109110742
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111127
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(dipropylamino)pyrazine-2-carboxamide
CID 109289086
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114237
6-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
CID 109339973
6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109125594
2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine-4-carboxamide
CID 109320582

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide (CID 109125639) is 6-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide is CCCCN(C)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)nn1.
What is the InChIKey of 6-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide?
The InChIKey is UPYDTGREWYDPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-4-9-22(2)17-8-6-14(20-21-17)18(23)19-13-5-7-15-16(12-13)25-11-10-24-15/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,23).
What are the key properties of 6-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide?
6-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109125639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).