(2R)-N-cycloheptyl-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide

C21H26FN3O3 — CID 92880705

IUPAC(2R)-N-cycloheptyl-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
SMILESCC[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NC1CCCCCC1
InChIInChI=1S/C21H26FN3O3/c1-2-18(21(27)23-16-7-5-3-4-6-8-16)28-19-13-14-20(26)25(24-19)17-11-9-15(22)10-12-17/h9-14,16,18H,2-8H2,1H3,(H,23,27)/t18-/m1/s1
InChIKeyHETAZZZBXYONBC-GOSISDBHSA-N
MW387.46 g/mol
LogP3.37
Rot. Bonds6

About (2R)-N-cycloheptyl-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide

(2R)-N-cycloheptyl-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide (PubChem CID 92880705) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is (2R)-N-cycloheptyl-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide.

Molecular Properties

Compound Name(2R)-N-cycloheptyl-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
PubChem CID92880705
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name(2R)-N-cycloheptyl-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
SMILESCC[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NC1CCCCCC1
InChIInChI=1S/C21H26FN3O3/c1-2-18(21(27)23-16-7-5-3-4-6-8-16)28-19-13-14-20(26)25(24-19)17-11-9-15(22)10-12-17/h9-14,16,18H,2-8H2,1H3,(H,23,27)/t18-/m1/s1
InChIKeyHETAZZZBXYONBC-GOSISDBHSA-N
XLogP3.37
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 46381454
(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methylphenyl)methyl]butanamide
CID 92880726
(2R)-N-(4-acetylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 92895677
(2R)-N-cyclohexyl-2-(4-fluorophenoxy)butanamide
CID 28569448
(2R)-N-(2,3-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 92880709
N-(3-acetylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 46381436
N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 46381403
(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-(3-methylsulfanylphenyl)butanamide
CID 92880766
(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-(3-methylsulfanylphenyl)butanamide
CID 92880765
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 46381451
ethyl 3-[[(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanoyl]amino]benzoate
CID 92880714
(2R)-N-(2-ethoxyphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880917

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cycloheptyl-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide?
The IUPAC name of (2R)-N-cycloheptyl-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide (CID 92880705) is (2R)-N-cycloheptyl-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide.
What is the SMILES notation for (2R)-N-cycloheptyl-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide?
The canonical SMILES for (2R)-N-cycloheptyl-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide is CC[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NC1CCCCCC1.
What is the InChIKey of (2R)-N-cycloheptyl-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide?
The InChIKey is HETAZZZBXYONBC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-2-18(21(27)23-16-7-5-3-4-6-8-16)28-19-13-14-20(26)25(24-19)17-11-9-15(22)10-12-17/h9-14,16,18H,2-8H2,1H3,(H,23,27)/t18-/m1/s1.
What are the key properties of (2R)-N-cycloheptyl-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide?
(2R)-N-cycloheptyl-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide has a molecular weight of 387.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cycloheptyl-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide is sourced from PubChem (CID 92880705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).