4-[3-(4-fluorophenyl)azepane-1-carbonyl]-6-hydroxy-1H-pyridin-2-one

C18H19FN2O3 — CID 121146340

IUPAC4-[3-(4-fluorophenyl)azepane-1-carbonyl]-6-hydroxy-1H-pyridin-2-one
SMILESO=C(c1cc(O)[nH]c(=O)c1)N1CCCCC(c2ccc(F)cc2)C1
InChIInChI=1S/C18H19FN2O3/c19-15-6-4-12(5-7-15)13-3-1-2-8-21(11-13)18(24)14-9-16(22)20-17(23)10-14/h4-7,9-10,13H,1-3,8,11H2,(H2,20,22,23)
InChIKeyLYSBOARFZHMGCL-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.63
Rot. Bonds2

About 4-[3-(4-fluorophenyl)azepane-1-carbonyl]-6-hydroxy-1H-pyridin-2-one

4-[3-(4-fluorophenyl)azepane-1-carbonyl]-6-hydroxy-1H-pyridin-2-one (PubChem CID 121146340) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)azepane-1-carbonyl]-6-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)azepane-1-carbonyl]-6-hydroxy-1H-pyridin-2-one
PubChem CID121146340
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name4-[3-(4-fluorophenyl)azepane-1-carbonyl]-6-hydroxy-1H-pyridin-2-one
SMILESO=C(c1cc(O)[nH]c(=O)c1)N1CCCCC(c2ccc(F)cc2)C1
InChIInChI=1S/C18H19FN2O3/c19-15-6-4-12(5-7-15)13-3-1-2-8-21(11-13)18(24)14-9-16(22)20-17(23)10-14/h4-7,9-10,13H,1-3,8,11H2,(H2,20,22,23)
InChIKeyLYSBOARFZHMGCL-UHFFFAOYSA-N
XLogP2.63
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl]-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 121130936
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
(4-bromophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 72717452
[3-(4-fluorophenyl)azepan-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 72717451
[(3R)-3-(4-fluorophenyl)azepan-1-yl]-(furan-3-yl)methanone
CID 99883345
[3-(4-fluorophenyl)azepan-1-yl]-(3-methylphenyl)methanone
CID 90608748
3H-benzimidazol-5-yl-[(3R)-3-(4-fluorophenyl)azepan-1-yl]methanone
CID 99873270
[3-(4-fluorophenyl)azepan-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121130934
6-hydroxy-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 66260859
(2-chloro-4-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 121130954
4-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one
CID 121146702
6-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 121146641

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)azepane-1-carbonyl]-6-hydroxy-1H-pyridin-2-one?
The IUPAC name of 4-[3-(4-fluorophenyl)azepane-1-carbonyl]-6-hydroxy-1H-pyridin-2-one (CID 121146340) is 4-[3-(4-fluorophenyl)azepane-1-carbonyl]-6-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-(4-fluorophenyl)azepane-1-carbonyl]-6-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 4-[3-(4-fluorophenyl)azepane-1-carbonyl]-6-hydroxy-1H-pyridin-2-one is O=C(c1cc(O)[nH]c(=O)c1)N1CCCCC(c2ccc(F)cc2)C1.
What is the InChIKey of 4-[3-(4-fluorophenyl)azepane-1-carbonyl]-6-hydroxy-1H-pyridin-2-one?
The InChIKey is LYSBOARFZHMGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-15-6-4-12(5-7-15)13-3-1-2-8-21(11-13)18(24)14-9-16(22)20-17(23)10-14/h4-7,9-10,13H,1-3,8,11H2,(H2,20,22,23).
What are the key properties of 4-[3-(4-fluorophenyl)azepane-1-carbonyl]-6-hydroxy-1H-pyridin-2-one?
4-[3-(4-fluorophenyl)azepane-1-carbonyl]-6-hydroxy-1H-pyridin-2-one has a molecular weight of 330.36 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)azepane-1-carbonyl]-6-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 121146340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).