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

C17H23N5O2 — CID 109114220

IUPACN-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccc(N(C)C)cc2)nn1
InChIInChI=1S/C17H23N5O2/c1-22(2)14-7-5-13(6-8-14)19-17(23)15-9-10-16(21-20-15)18-11-4-12-24-3/h5-10H,4,11-12H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyFENKIFXHIONCIL-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.24
Rot. Bonds8

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

N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide (PubChem CID 109114220) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
PubChem CID109114220
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccc(N(C)C)cc2)nn1
InChIInChI=1S/C17H23N5O2/c1-22(2)14-7-5-13(6-8-14)19-17(23)15-9-10-16(21-20-15)18-11-4-12-24-3/h5-10H,4,11-12H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyFENKIFXHIONCIL-UHFFFAOYSA-N
XLogP2.24
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(pentylamino)pyridazine-3-carboxamide
CID 109125429
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114181
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114237
6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide
CID 109114229
N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109184150
6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129399
N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114184
6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109113837
N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127978

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide (CID 109114220) is N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide is COCCCNc1ccc(C(=O)Nc2ccc(N(C)C)cc2)nn1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
The InChIKey is FENKIFXHIONCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-22(2)14-7-5-13(6-8-14)19-17(23)15-9-10-16(21-20-15)18-11-4-12-24-3/h5-10H,4,11-12H2,1-3H3,(H,18,21)(H,19,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109114220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).