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

C17H21FN4O — CID 109111575

IUPACN-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(NCCc2ccc(F)cc2)nn1
InChIInChI=1S/C17H21FN4O/c1-3-12(2)20-17(23)15-8-9-16(22-21-15)19-11-10-13-4-6-14(18)7-5-13/h4-9,12H,3,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyIMHUUYISNQIBNG-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.80
Rot. Bonds7

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

N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide (PubChem CID 109111575) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
PubChem CID109111575
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(NCCc2ccc(F)cc2)nn1
InChIInChI=1S/C17H21FN4O/c1-3-12(2)20-17(23)15-8-9-16(22-21-15)19-11-10-13-4-6-14(18)7-5-13/h4-9,12H,3,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyIMHUUYISNQIBNG-UHFFFAOYSA-N
XLogP2.80
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109362538
6-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 62186107
N-butan-2-yl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109297311
N,N-diethyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109122067
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
N-(3,4-dimethylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109122089
N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide
CID 62185105
methyl 4-[[6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carbonyl]amino]benzoate
CID 109122119
[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112658
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

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
The IUPAC name of N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide (CID 109111575) is N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide is CCC(C)NC(=O)c1ccc(NCCc2ccc(F)cc2)nn1.
What is the InChIKey of N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
The InChIKey is IMHUUYISNQIBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-3-12(2)20-17(23)15-8-9-16(22-21-15)19-11-10-13-4-6-14(18)7-5-13/h4-9,12H,3,10-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109111575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).