N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide

C18H24N4O4 — CID 113038340

IUPACN-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide
SMILESCCCCNc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nn1
InChIInChI=1S/C18H24N4O4/c1-5-6-9-19-15-7-8-16(22-21-15)20-18(23)12-10-13(24-2)17(26-4)14(11-12)25-3/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,21)(H,20,22,23)
InChIKeyPLXDHDSMRDZXCN-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.97
Rot. Bonds9

About N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide

N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide (PubChem CID 113038340) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide
PubChem CID113038340
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide
SMILESCCCCNc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nn1
InChIInChI=1S/C18H24N4O4/c1-5-6-9-19-15-7-8-16(22-21-15)20-18(23)12-10-13(24-2)17(26-4)14(11-12)25-3/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,21)(H,20,22,23)
InChIKeyPLXDHDSMRDZXCN-UHFFFAOYSA-N
XLogP2.97
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide 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

3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044658
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide
CID 113038339
3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044532
3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide
CID 113015219
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113038336
3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide
CID 113042222
2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044650
6-(butylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
CID 109339977
3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051733
2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109165609
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044099

Frequently Asked Questions

What is the IUPAC name of N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide (CID 113038340) is N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide is CCCCNc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nn1.
What is the InChIKey of N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is PLXDHDSMRDZXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-5-6-9-19-15-7-8-16(22-21-15)20-18(23)12-10-13(24-2)17(26-4)14(11-12)25-3/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,21)(H,20,22,23).
What are the key properties of N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide?
N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 360.41 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 113038340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).