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

C19H26N4O4 — CID 113044658

IUPAC3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
SMILESCCCCCNc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nn1
InChIInChI=1S/C19H26N4O4/c1-5-6-7-10-20-16-8-9-17(23-22-16)21-19(24)13-11-14(25-2)18(27-4)15(12-13)26-3/h8-9,11-12H,5-7,10H2,1-4H3,(H,20,22)(H,21,23,24)
InChIKeyQXIIFDRVCBWSQJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.36
Rot. Bonds10

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

3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide (PubChem CID 113044658) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
PubChem CID113044658
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
SMILESCCCCCNc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nn1
InChIInChI=1S/C19H26N4O4/c1-5-6-7-10-20-16-8-9-17(23-22-16)21-19(24)13-11-14(25-2)18(27-4)15(12-13)26-3/h8-9,11-12H,5-7,10H2,1-4H3,(H,20,22)(H,21,23,24)
InChIKeyQXIIFDRVCBWSQJ-UHFFFAOYSA-N
XLogP3.36
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide
CID 113038340
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide
CID 113038339
3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide
CID 113015219
3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044532
2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044650
3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide
CID 113042222
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113038336
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
N-[6-(pentylamino)pyridazin-3-yl]propanamide
CID 113044628
N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113044676
3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051733
2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044681

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide (CID 113044658) is 3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide is CCCCCNc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nn1.
What is the InChIKey of 3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide?
The InChIKey is QXIIFDRVCBWSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-5-6-7-10-20-16-8-9-17(23-22-16)21-19(24)13-11-14(25-2)18(27-4)15(12-13)26-3/h8-9,11-12H,5-7,10H2,1-4H3,(H,20,22)(H,21,23,24).
What are the key properties of 3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide?
3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.36, 10 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-(pentylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113044658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).