N-ethyl-6-[2-(2-fluorophenyl)ethylamino]-N-phenylpyridazine-3-carboxamide

C21H21FN4O — CID 109121948

IUPACN-ethyl-6-[2-(2-fluorophenyl)ethylamino]-N-phenylpyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NCCc2ccccc2F)nn1)c1ccccc1
InChIInChI=1S/C21H21FN4O/c1-2-26(17-9-4-3-5-10-17)21(27)19-12-13-20(25-24-19)23-15-14-16-8-6-7-11-18(16)22/h3-13H,2,14-15H2,1H3,(H,23,25)
InChIKeyPBDIDMKEDIYKTO-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.94
Rot. Bonds7

About N-ethyl-6-[2-(2-fluorophenyl)ethylamino]-N-phenylpyridazine-3-carboxamide

N-ethyl-6-[2-(2-fluorophenyl)ethylamino]-N-phenylpyridazine-3-carboxamide (PubChem CID 109121948) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-ethyl-6-[2-(2-fluorophenyl)ethylamino]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[2-(2-fluorophenyl)ethylamino]-N-phenylpyridazine-3-carboxamide
PubChem CID109121948
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-ethyl-6-[2-(2-fluorophenyl)ethylamino]-N-phenylpyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NCCc2ccccc2F)nn1)c1ccccc1
InChIInChI=1S/C21H21FN4O/c1-2-26(17-9-4-3-5-10-17)21(27)19-12-13-20(25-24-19)23-15-14-16-8-6-7-11-18(16)22/h3-13H,2,14-15H2,1H3,(H,23,25)
InChIKeyPBDIDMKEDIYKTO-UHFFFAOYSA-N
XLogP3.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
CID 109113559
N-ethyl-6-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109122262
6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
CID 109119843
6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109121915
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113743
N-ethyl-6-(3-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109128102
6-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109121995
N-ethyl-6-(furan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide
CID 109117424
4-N-ethyl-2-N-[2-(2-fluorophenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088003
6-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121372
N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121967
N-[2-(2-fluorophenyl)ethyl]-6-methylpyridazin-3-amine
CID 61311370

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[2-(2-fluorophenyl)ethylamino]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-[2-(2-fluorophenyl)ethylamino]-N-phenylpyridazine-3-carboxamide (CID 109121948) is N-ethyl-6-[2-(2-fluorophenyl)ethylamino]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[2-(2-fluorophenyl)ethylamino]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[2-(2-fluorophenyl)ethylamino]-N-phenylpyridazine-3-carboxamide is CCN(C(=O)c1ccc(NCCc2ccccc2F)nn1)c1ccccc1.
What is the InChIKey of N-ethyl-6-[2-(2-fluorophenyl)ethylamino]-N-phenylpyridazine-3-carboxamide?
The InChIKey is PBDIDMKEDIYKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-2-26(17-9-4-3-5-10-17)21(27)19-12-13-20(25-24-19)23-15-14-16-8-6-7-11-18(16)22/h3-13H,2,14-15H2,1H3,(H,23,25).
What are the key properties of N-ethyl-6-[2-(2-fluorophenyl)ethylamino]-N-phenylpyridazine-3-carboxamide?
N-ethyl-6-[2-(2-fluorophenyl)ethylamino]-N-phenylpyridazine-3-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[2-(2-fluorophenyl)ethylamino]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 109121948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).