N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide

C21H19FN4O2 — CID 109121967

IUPACN-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(NCCc3ccccc3F)nn2)cc1
InChIInChI=1S/C21H19FN4O2/c1-14(27)15-6-8-17(9-7-15)24-21(28)19-10-11-20(26-25-19)23-13-12-16-4-2-3-5-18(16)22/h2-11H,12-13H2,1H3,(H,23,26)(H,24,28)
InChIKeySXAANPBFALFVRP-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.73
Rot. Bonds7

About N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide

N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide (PubChem CID 109121967) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
PubChem CID109121967
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC NameN-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(NCCc3ccccc3F)nn2)cc1
InChIInChI=1S/C21H19FN4O2/c1-14(27)15-6-8-17(9-7-15)24-21(28)19-10-11-20(26-25-19)23-13-12-16-4-2-3-5-18(16)22/h2-11H,12-13H2,1H3,(H,23,26)(H,24,28)
InChIKeySXAANPBFALFVRP-UHFFFAOYSA-N
XLogP3.73
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122252
N-(4-acetylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284391
N-(2,3-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121945
6-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109121995
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113743
N-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121963
3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide
CID 113042530
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
N-[2-(2-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110225
6-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121372
6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide
CID 109128335
N-(4-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000209

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide (CID 109121967) is N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc(NCCc3ccccc3F)nn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
The InChIKey is SXAANPBFALFVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-14(27)15-6-8-17(9-7-15)24-21(28)19-10-11-20(26-25-19)23-13-12-16-4-2-3-5-18(16)22/h2-11H,12-13H2,1H3,(H,23,26)(H,24,28).
What are the key properties of N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109121967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).