N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide

C17H22N4O2 — CID 109110899

IUPACN-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccc(OCC)cc2)nn1
InChIInChI=1S/C17H22N4O2/c1-3-5-12-18-17(22)15-10-11-16(21-20-15)19-13-6-8-14(9-7-13)23-4-2/h6-11H,3-5,12H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyFDJYHTQPHLIRNL-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.15
Rot. Bonds8

About N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide

N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide (PubChem CID 109110899) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide
PubChem CID109110899
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccc(OCC)cc2)nn1
InChIInChI=1S/C17H22N4O2/c1-3-5-12-18-17(22)15-10-11-16(21-20-15)19-13-6-8-14(9-7-13)23-4-2/h6-11H,3-5,12H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyFDJYHTQPHLIRNL-UHFFFAOYSA-N
XLogP3.15
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide
CID 109109333
6-anilino-N-butylpyridazine-3-carboxamide
CID 109110857
N-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide
CID 109110955
6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118657
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129382
N-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109125492
6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide
CID 109110894
6-(4-ethoxyanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109128416
N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide
CID 109110889
6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide
CID 109109344
N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide
CID 109116087
6-(4-ethoxyanilino)-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109129289

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide?
The IUPAC name of N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide (CID 109110899) is N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide is CCCCNC(=O)c1ccc(Nc2ccc(OCC)cc2)nn1.
What is the InChIKey of N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide?
The InChIKey is FDJYHTQPHLIRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-5-12-18-17(22)15-10-11-16(21-20-15)19-13-6-8-14(9-7-13)23-4-2/h6-11H,3-5,12H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide?
N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109110899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).