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

C17H21FN4O — CID 109122067

IUPACN,N-diethyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NCCc2ccc(F)cc2)nn1
InChIInChI=1S/C17H21FN4O/c1-3-22(4-2)17(23)15-9-10-16(21-20-15)19-12-11-13-5-7-14(18)8-6-13/h5-10H,3-4,11-12H2,1-2H3,(H,19,21)
InChIKeyUZGSRVZMJGJBQC-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.75
Rot. Bonds7

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

N,N-diethyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide (PubChem CID 109122067) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N,N-diethyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
PubChem CID109122067
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN,N-diethyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NCCc2ccc(F)cc2)nn1
InChIInChI=1S/C17H21FN4O/c1-3-22(4-2)17(23)15-9-10-16(21-20-15)19-12-11-13-5-7-14(18)8-6-13/h5-10H,3-4,11-12H2,1-2H3,(H,19,21)
InChIKeyUZGSRVZMJGJBQC-UHFFFAOYSA-N
XLogP2.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 62186107
N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109111575
6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114295
N-cyclopentyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109112300
[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112658
N-(3,4-dimethylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109122089
6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122145
N-[2-(4-fluorophenyl)ethyl]-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122136
methyl 4-[[6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carbonyl]amino]benzoate
CID 109122119
N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 62179220
N-benzyl-N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109120582
6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109119413

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
The IUPAC name of N,N-diethyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide (CID 109122067) is N,N-diethyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for N,N-diethyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide is CCN(CC)C(=O)c1ccc(NCCc2ccc(F)cc2)nn1.
What is the InChIKey of N,N-diethyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
The InChIKey is UZGSRVZMJGJBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-3-22(4-2)17(23)15-9-10-16(21-20-15)19-12-11-13-5-7-14(18)8-6-13/h5-10H,3-4,11-12H2,1-2H3,(H,19,21).
What are the key properties of N,N-diethyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
N,N-diethyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109122067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).