6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide

C23H27N5O — CID 109121704

IUPAC6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(C(=O)NCCc3ccccc3)nn2)cc1
InChIInChI=1S/C23H27N5O/c1-3-28(4-2)20-12-10-19(11-13-20)25-22-15-14-21(26-27-22)23(29)24-17-16-18-8-6-5-7-9-18/h5-15H,3-4,16-17H2,1-2H3,(H,24,29)(H,25,27)
InChIKeyDXHXGILHOODXIM-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.04
Rot. Bonds9

About 6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide

6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide (PubChem CID 109121704) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide
PubChem CID109121704
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(C(=O)NCCc3ccccc3)nn2)cc1
InChIInChI=1S/C23H27N5O/c1-3-28(4-2)20-12-10-19(11-13-20)25-22-15-14-21(26-27-22)23(29)24-17-16-18-8-6-5-7-9-18/h5-15H,3-4,16-17H2,1-2H3,(H,24,29)(H,25,27)
InChIKeyDXHXGILHOODXIM-UHFFFAOYSA-N
XLogP4.04
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.04
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

6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121699
6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121189
N-cyclopropyl-6-[4-(diethylamino)anilino]pyridazine-3-carboxamide
CID 109110139
N-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109126338
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760
6-anilino-N-butylpyridazine-3-carboxamide
CID 109110857
6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
CID 109126267
6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121707
N-(2-phenylethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121694
6-(4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122416
N-[2-(4-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109122527
N-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide
CID 113049661

Frequently Asked Questions

What is the IUPAC name of 6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide (CID 109121704) is 6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide is CCN(CC)c1ccc(Nc2ccc(C(=O)NCCc3ccccc3)nn2)cc1.
What is the InChIKey of 6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide?
The InChIKey is DXHXGILHOODXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-3-28(4-2)20-12-10-19(11-13-20)25-22-15-14-21(26-27-22)23(29)24-17-16-18-8-6-5-7-9-18/h5-15H,3-4,16-17H2,1-2H3,(H,24,29)(H,25,27).
What are the key properties of 6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide?
6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109121704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).