N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide

C19H26N4O2 — CID 109114181

IUPACN-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)14-6-8-15(9-7-14)21-18(24)16-10-11-17(23-22-16)20-12-5-13-25-4/h6-11H,5,12-13H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyZLMVHAOBEZVMMZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.47
Rot. Bonds7

About N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide

N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide (PubChem CID 109114181) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
PubChem CID109114181
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)14-6-8-15(9-7-14)21-18(24)16-10-11-17(23-22-16)20-12-5-13-25-4/h6-11H,5,12-13H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyZLMVHAOBEZVMMZ-UHFFFAOYSA-N
XLogP3.47
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.47
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

N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114172
6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109114176
N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114220
6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide
CID 109114229
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343201
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114237
6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109125420
N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114184
6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109113837
4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010472
6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109114208
N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114249

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide (CID 109114181) is N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide is COCCCNc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)nn1.
What is the InChIKey of N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
The InChIKey is ZLMVHAOBEZVMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(2,3)14-6-8-15(9-7-14)21-18(24)16-10-11-17(23-22-16)20-12-5-13-25-4/h6-11H,5,12-13H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109114181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).