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

C18H21FN4O — CID 109112300

IUPACN-cyclopentyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(NCCc2ccc(F)cc2)nn1
InChIInChI=1S/C18H21FN4O/c19-14-7-5-13(6-8-14)11-12-20-17-10-9-16(22-23-17)18(24)21-15-3-1-2-4-15/h5-10,15H,1-4,11-12H2,(H,20,23)(H,21,24)
InChIKeyNOJVFPBPEYCAQM-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.94
Rot. Bonds6

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

N-cyclopentyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide (PubChem CID 109112300) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N-cyclopentyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
PubChem CID109112300
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-cyclopentyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(NCCc2ccc(F)cc2)nn1
InChIInChI=1S/C18H21FN4O/c19-14-7-5-13(6-8-14)11-12-20-17-10-9-16(22-23-17)18(24)21-15-3-1-2-4-15/h5-10,15H,1-4,11-12H2,(H,20,23)(H,21,24)
InChIKeyNOJVFPBPEYCAQM-UHFFFAOYSA-N
XLogP2.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109182937
N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109274670
N-cycloheptyl-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158626
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide
CID 109112342
N-cycloheptyl-6-(ethylamino)pyridazine-3-carboxamide
CID 55042572
6-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109109833
N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109113045
N-cyclohexyl-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109112980
[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112658
N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109111575
N-cyclopentyl-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112077
N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109112291

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
The IUPAC name of N-cyclopentyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide (CID 109112300) is N-cyclopentyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide is O=C(NC1CCCC1)c1ccc(NCCc2ccc(F)cc2)nn1.
What is the InChIKey of N-cyclopentyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
The InChIKey is NOJVFPBPEYCAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-14-7-5-13(6-8-14)11-12-20-17-10-9-16(22-23-17)18(24)21-15-3-1-2-4-15/h5-10,15H,1-4,11-12H2,(H,20,23)(H,21,24).
What are the key properties of N-cyclopentyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide?
N-cyclopentyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109112300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).