6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide

C20H19FN4O — CID 109119413

IUPAC6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(NCc2ccc(F)cc2)nn1
InChIInChI=1S/C20H19FN4O/c21-17-8-6-16(7-9-17)14-23-19-11-10-18(24-25-19)20(26)22-13-12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,26)(H,23,25)
InChIKeyZGKLHNZDUPATOJ-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.20
Rot. Bonds7

About 6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide

6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide (PubChem CID 109119413) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
PubChem CID109119413
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(NCc2ccc(F)cc2)nn1
InChIInChI=1S/C20H19FN4O/c21-17-8-6-16(7-9-17)14-23-19-11-10-18(24-25-19)20(26)22-13-12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,26)(H,23,25)
InChIKeyZGKLHNZDUPATOJ-UHFFFAOYSA-N
XLogP3.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 62186107
5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109281675
6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122145
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760
6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122201
6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109119412
N-[(4-methylphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109118594
N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109119889
N-[2-(4-fluorophenyl)ethyl]-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122136
N-[(4-fluorophenyl)methyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118231
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124516

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide (CID 109119413) is 6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide is O=C(NCCc1ccccc1)c1ccc(NCc2ccc(F)cc2)nn1.
What is the InChIKey of 6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide?
The InChIKey is ZGKLHNZDUPATOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-17-8-6-16(7-9-17)14-23-19-11-10-18(24-25-19)20(26)22-13-12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,26)(H,23,25).
What are the key properties of 6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide?
6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109119413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).