6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide

C18H24N4O2 — CID 109114176

IUPAC6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C18H24N4O2/c1-13(2)14-5-7-15(8-6-14)20-18(23)16-9-10-17(22-21-16)19-11-4-12-24-3/h5-10,13H,4,11-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyHRXIUISSCBXXOU-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.30
Rot. Bonds8

About 6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide

6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide (PubChem CID 109114176) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
PubChem CID109114176
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C18H24N4O2/c1-13(2)14-5-7-15(8-6-14)20-18(23)16-9-10-17(22-21-16)19-11-4-12-24-3/h5-10,13H,4,11-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyHRXIUISSCBXXOU-UHFFFAOYSA-N
XLogP3.30
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.30
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-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114181
N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109143
N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114172
N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114220
6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109111066
6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109113837
6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide
CID 109114229
N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114184
2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109167231
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114237
N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114249
N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120714

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide (CID 109114176) is 6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide is COCCCNc1ccc(C(=O)Nc2ccc(C(C)C)cc2)nn1.
What is the InChIKey of 6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide?
The InChIKey is HRXIUISSCBXXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(2)14-5-7-15(8-6-14)20-18(23)16-9-10-17(22-21-16)19-11-4-12-24-3/h5-10,13H,4,11-12H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide?
6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109114176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).