3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide

C19H26N4O4 — CID 113044532

IUPAC3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(NCCC(C)C)nn2)cc(OC)c1OC
InChIInChI=1S/C19H26N4O4/c1-12(2)8-9-20-16-6-7-17(23-22-16)21-19(24)13-10-14(25-3)18(27-5)15(11-13)26-4/h6-7,10-12H,8-9H2,1-5H3,(H,20,22)(H,21,23,24)
InChIKeyYVLBKLIQINNBMA-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.21
Rot. Bonds9

About 3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide

3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide (PubChem CID 113044532) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
PubChem CID113044532
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(NCCC(C)C)nn2)cc(OC)c1OC
InChIInChI=1S/C19H26N4O4/c1-12(2)8-9-20-16-6-7-17(23-22-16)21-19(24)13-10-14(25-3)18(27-5)15(11-13)26-4/h6-7,10-12H,8-9H2,1-5H3,(H,20,22)(H,21,23,24)
InChIKeyYVLBKLIQINNBMA-UHFFFAOYSA-N
XLogP3.21
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide
CID 113038340
3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044658
4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044524
3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide
CID 113042222
4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044515
2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 109263606
N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125202
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide
CID 113038339
3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051733
2-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044513
3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980351
2,2-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]propanamide
CID 113044508

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide (CID 113044532) is 3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide is COc1cc(C(=O)Nc2ccc(NCCC(C)C)nn2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide?
The InChIKey is YVLBKLIQINNBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-12(2)8-9-20-16-6-7-17(23-22-16)21-19(24)13-10-14(25-3)18(27-5)15(11-13)26-4/h6-7,10-12H,8-9H2,1-5H3,(H,20,22)(H,21,23,24).
What are the key properties of 3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide?
3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113044532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).