6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide

C21H24N6O — CID 109121189

IUPAC6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(C(=O)NCc3cccnc3)nn2)cc1
InChIInChI=1S/C21H24N6O/c1-3-27(4-2)18-9-7-17(8-10-18)24-20-12-11-19(25-26-20)21(28)23-15-16-6-5-13-22-14-16/h5-14H,3-4,15H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyHBPZNONBQXICGV-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.39
Rot. Bonds8

About 6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide

6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109121189) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
PubChem CID109121189
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(C(=O)NCc3cccnc3)nn2)cc1
InChIInChI=1S/C21H24N6O/c1-3-27(4-2)18-9-7-17(8-10-18)24-20-12-11-19(25-26-20)21(28)23-15-16-6-5-13-22-14-16/h5-14H,3-4,15H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyHBPZNONBQXICGV-UHFFFAOYSA-N
XLogP3.39
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121155
6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121222
6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121704
6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121140
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121227
N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121178
methyl 2-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109121184
N-cyclopropyl-6-[4-(diethylamino)anilino]pyridazine-3-carboxamide
CID 109110139
6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
CID 109126267
6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 54927031
N,N-diethyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109120969
5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 104639627

Frequently Asked Questions

What is the IUPAC name of 6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide (CID 109121189) is 6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide is CCN(CC)c1ccc(Nc2ccc(C(=O)NCc3cccnc3)nn2)cc1.
What is the InChIKey of 6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is HBPZNONBQXICGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-3-27(4-2)18-9-7-17(8-10-18)24-20-12-11-19(25-26-20)21(28)23-15-16-6-5-13-22-14-16/h5-14H,3-4,15H2,1-2H3,(H,23,28)(H,24,26).
What are the key properties of 6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109121189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).