(2S)-3-cyclopentyl-2-[4-(2-fluorophenoxy)-6-oxopyridazin-1-yl]propanamide

C18H20FN3O3 — CID 141369662

IUPAC(2S)-3-cyclopentyl-2-[4-(2-fluorophenoxy)-6-oxopyridazin-1-yl]propanamide
SMILESNC(=O)[C@H](CC1CCCC1)n1ncc(Oc2ccccc2F)cc1=O
InChIInChI=1S/C18H20FN3O3/c19-14-7-3-4-8-16(14)25-13-10-17(23)22(21-11-13)15(18(20)24)9-12-5-1-2-6-12/h3-4,7-8,10-12,15H,1-2,5-6,9H2,(H2,20,24)/t15-/m0/s1
InChIKeyKWJQKVWZZJFMLD-HNNXBMFYSA-N
MW345.37 g/mol
LogP2.78
Rot. Bonds6

About (2S)-3-cyclopentyl-2-[4-(2-fluorophenoxy)-6-oxopyridazin-1-yl]propanamide

(2S)-3-cyclopentyl-2-[4-(2-fluorophenoxy)-6-oxopyridazin-1-yl]propanamide (PubChem CID 141369662) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-2-[4-(2-fluorophenoxy)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-2-[4-(2-fluorophenoxy)-6-oxopyridazin-1-yl]propanamide
PubChem CID141369662
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name(2S)-3-cyclopentyl-2-[4-(2-fluorophenoxy)-6-oxopyridazin-1-yl]propanamide
SMILESNC(=O)[C@H](CC1CCCC1)n1ncc(Oc2ccccc2F)cc1=O
InChIInChI=1S/C18H20FN3O3/c19-14-7-3-4-8-16(14)25-13-10-17(23)22(21-11-13)15(18(20)24)9-12-5-1-2-6-12/h3-4,7-8,10-12,15H,1-2,5-6,9H2,(H2,20,24)/t15-/m0/s1
InChIKeyKWJQKVWZZJFMLD-HNNXBMFYSA-N
XLogP2.78
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-cyclopentyl-2-[4-(2-methylphenoxy)-6-oxopyridazin-1-yl]propanamide
CID 141369655
3-cyclopentyl-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-[6-oxo-4-[2-(trifluoromethoxy)phenoxy]pyridazin-1-yl]propanamide
CID 143878437
methyl 3-cyclopentyl-2-[6-oxo-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypyridazin-1-yl]propanoate
CID 66875234
3-cyclohexyl-2-[4-(2-fluoro-4-methoxyphenoxy)-6-oxopyridazin-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)azaborol-3-yl]propanamide
CID 143878440
methyl 3-cyclopentyl-2-(4-hydroxy-6-oxopyridazin-1-yl)propanoate
CID 66875430
3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-[(3-fluoro-2-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide
CID 68994020
3-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide
CID 143878459
3-cyclopentyl-N-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-[4-(2-fluoro-5-methylphenoxy)-6-oxopyridazin-1-yl]propanamide
CID 68990492
3-cyclopentyl-2-(1-oxophthalazin-2-yl)propanoic acid
CID 66891968
2-(4-naphthalen-1-yloxy-6-oxopyridazin-1-yl)octanoic acid
CID 67485979
3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid
CID 66894847
methyl (2S)-3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoate
CID 66895519

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-2-[4-(2-fluorophenoxy)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of (2S)-3-cyclopentyl-2-[4-(2-fluorophenoxy)-6-oxopyridazin-1-yl]propanamide (CID 141369662) is (2S)-3-cyclopentyl-2-[4-(2-fluorophenoxy)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-2-[4-(2-fluorophenoxy)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-2-[4-(2-fluorophenoxy)-6-oxopyridazin-1-yl]propanamide is NC(=O)[C@H](CC1CCCC1)n1ncc(Oc2ccccc2F)cc1=O.
What is the InChIKey of (2S)-3-cyclopentyl-2-[4-(2-fluorophenoxy)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is KWJQKVWZZJFMLD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-14-7-3-4-8-16(14)25-13-10-17(23)22(21-11-13)15(18(20)24)9-12-5-1-2-6-12/h3-4,7-8,10-12,15H,1-2,5-6,9H2,(H2,20,24)/t15-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-2-[4-(2-fluorophenoxy)-6-oxopyridazin-1-yl]propanamide?
(2S)-3-cyclopentyl-2-[4-(2-fluorophenoxy)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 345.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-2-[4-(2-fluorophenoxy)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 141369662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).