N-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide

C18H25N5O — CID 109125429

IUPACN-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(N(C)C)cc2)nn1
InChIInChI=1S/C18H25N5O/c1-4-5-6-13-19-17-12-11-16(21-22-17)18(24)20-14-7-9-15(10-8-14)23(2)3/h7-12H,4-6,13H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyPTQDXIBUJMYWLO-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.40
Rot. Bonds8

About N-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide

N-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide (PubChem CID 109125429) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide
PubChem CID109125429
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(N(C)C)cc2)nn1
InChIInChI=1S/C18H25N5O/c1-4-5-6-13-19-17-12-11-16(21-22-17)18(24)20-14-7-9-15(10-8-14)23(2)3/h7-12H,4-6,13H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyPTQDXIBUJMYWLO-UHFFFAOYSA-N
XLogP3.40
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
CID 109110726
N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114220
6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109125420
6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109125432
N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127978
N-(1,3-benzodioxol-5-yl)-6-(butylamino)pyridazine-3-carboxamide
CID 109110742
6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109110732
N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109143
N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114172
N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109125364
N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115946
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114181

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide (CID 109125429) is N-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide is CCCCCNc1ccc(C(=O)Nc2ccc(N(C)C)cc2)nn1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide?
The InChIKey is PTQDXIBUJMYWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-5-6-13-19-17-12-11-16(21-22-17)18(24)20-14-7-9-15(10-8-14)23(2)3/h7-12H,4-6,13H2,1-3H3,(H,19,22)(H,20,24).
What are the key properties of N-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide?
N-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109125429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).