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

C17H22N4O3 — CID 113038339

IUPACN-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide
SMILESCCCCNc1ccc(NC(=O)c2ccc(OC)c(OC)c2)nn1
InChIInChI=1S/C17H22N4O3/c1-4-5-10-18-15-8-9-16(21-20-15)19-17(22)12-6-7-13(23-2)14(11-12)24-3/h6-9,11H,4-5,10H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyVJIOLXYTBBSODE-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.96
Rot. Bonds8

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

N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide (PubChem CID 113038339) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide
PubChem CID113038339
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide
SMILESCCCCNc1ccc(NC(=O)c2ccc(OC)c(OC)c2)nn1
InChIInChI=1S/C17H22N4O3/c1-4-5-10-18-15-8-9-16(21-20-15)19-17(22)12-6-7-13(23-2)14(11-12)24-3/h6-9,11H,4-5,10H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyVJIOLXYTBBSODE-UHFFFAOYSA-N
XLogP2.96
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-dimethylbenzamide
CID 113038336
3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044658
2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109165609
3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023443
2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044650
N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113044676
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044532
2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109165599
4-(butylamino)-3-methoxy-N-methylbenzamide
CID 178010173
N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
CID 113009468

Frequently Asked Questions

What is the IUPAC name of N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide (CID 113038339) is N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide is CCCCNc1ccc(NC(=O)c2ccc(OC)c(OC)c2)nn1.
What is the InChIKey of N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide?
The InChIKey is VJIOLXYTBBSODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-4-5-10-18-15-8-9-16(21-20-15)19-17(22)12-6-7-13(23-2)14(11-12)24-3/h6-9,11H,4-5,10H2,1-3H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide?
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide has a molecular weight of 330.39 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 113038339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).