6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide

C18H23N5O — CID 109109943

IUPAC6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(NC3CC3)nn2)cc1
InChIInChI=1S/C18H23N5O/c1-3-23(4-2)15-9-7-14(8-10-15)20-18(24)16-11-12-17(22-21-16)19-13-5-6-13/h7-13H,3-6H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyMWWQSBWKNWFOOP-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.15
Rot. Bonds7

About 6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide

6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide (PubChem CID 109109943) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide
PubChem CID109109943
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(NC3CC3)nn2)cc1
InChIInChI=1S/C18H23N5O/c1-3-23(4-2)15-9-7-14(8-10-15)20-18(24)16-11-12-17(22-21-16)19-13-5-6-13/h7-13H,3-6H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyMWWQSBWKNWFOOP-UHFFFAOYSA-N
XLogP3.15
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-6-[4-(diethylamino)anilino]pyridazine-3-carboxamide
CID 109110139
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109151369
N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112186
6-(cyclopropylamino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109109890
6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109109946
N-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide
CID 109109935
6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide
CID 109124960
6-(cyclopropylamino)-N-propylpyridazine-3-carboxamide
CID 109109200
N-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide
CID 113200658
2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide
CID 109298731
6-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide
CID 109113587
N-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112196

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide (CID 109109943) is 6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccc(NC3CC3)nn2)cc1.
What is the InChIKey of 6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide?
The InChIKey is MWWQSBWKNWFOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-3-23(4-2)15-9-7-14(8-10-15)20-18(24)16-11-12-17(22-21-16)19-13-5-6-13/h7-13H,3-6H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of 6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide?
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109109943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).