N-cyclopentyl-1-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxamide

C23H28FN3O3 — CID 144808040

IUPACN-cyclopentyl-1-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxamide
SMILESO=C(NC1CCCC1)c1nn(CC2(c3cccc(CF)c3)CCCC2)cc(O)c1=O
InChIInChI=1S/C23H28FN3O3/c24-13-16-6-5-7-17(12-16)23(10-3-4-11-23)15-27-14-19(28)21(29)20(26-27)22(30)25-18-8-1-2-9-18/h5-7,12,14,18,28H,1-4,8-11,13,15H2,(H,25,30)
InChIKeyJWEYLULWUGYTNC-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.60
Rot. Bonds6

About N-cyclopentyl-1-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxamide

N-cyclopentyl-1-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxamide (PubChem CID 144808040) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is N-cyclopentyl-1-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxamide
PubChem CID144808040
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC NameN-cyclopentyl-1-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxamide
SMILESO=C(NC1CCCC1)c1nn(CC2(c3cccc(CF)c3)CCCC2)cc(O)c1=O
InChIInChI=1S/C23H28FN3O3/c24-13-16-6-5-7-17(12-16)23(10-3-4-11-23)15-27-14-19(28)21(29)20(26-27)22(30)25-18-8-1-2-9-18/h5-7,12,14,18,28H,1-4,8-11,13,15H2,(H,25,30)
InChIKeyJWEYLULWUGYTNC-UHFFFAOYSA-N
XLogP3.60
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-N-(1H-indazol-5-ylmethyl)-1-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide
CID 147971835
1-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;ethane
CID 144807955
4-oxo-5-phenylmethoxy-N-(1,1,1-trifluorobutan-2-yl)-1-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyridazine-3-carboxamide
CID 123487258
N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-pyridin-2-ylacetamide
CID 92577364
3-acetyl-5-hydroxy-1-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyridazin-4-one;1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;5-hydroxy-N-[(3-methoxyphenyl)methyl]-4-oxo-1-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyridazine-3-carboxamide;5-hydroxy-N-methyl-4-oxo-1-[(1-phenylcyclopentyl)methyl]pyridazine-3-carboxamide
CID 159823742
4-amino-N-cyclohexyl-1-(2,2-difluoroethyl)pyrazole-3-carboxamide
CID 132586551
3-[3-(1-aminocyclopropyl)phenyl]-N-cyclopentyl-2-methylpropanamide
CID 115055777
1-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
CID 115056079
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridazine-3-carboxylic acid
CID 123399268
N-cyclopentyl-3-fluoropyridine-2-carboxamide
CID 83407062
N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide
CID 53169768

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxamide (CID 144808040) is N-cyclopentyl-1-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxamide is O=C(NC1CCCC1)c1nn(CC2(c3cccc(CF)c3)CCCC2)cc(O)c1=O.
What is the InChIKey of N-cyclopentyl-1-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxamide?
The InChIKey is JWEYLULWUGYTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3/c24-13-16-6-5-7-17(12-16)23(10-3-4-11-23)15-27-14-19(28)21(29)20(26-27)22(30)25-18-8-1-2-9-18/h5-7,12,14,18,28H,1-4,8-11,13,15H2,(H,25,30).
What are the key properties of N-cyclopentyl-1-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxamide?
N-cyclopentyl-1-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 144808040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).