3-[3-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-5-tert-butyl-4-methoxyphenyl]-5-fluoro-1H-pyridin-2-one

C23H24FN3O2 — CID 67286786

IUPAC3-[3-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-5-tert-butyl-4-methoxyphenyl]-5-fluoro-1H-pyridin-2-one
SMILESCOc1c(/C=C/c2ccc(N)nc2)cc(-c2cc(F)c[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C23H24FN3O2/c1-23(2,3)19-10-16(18-11-17(24)13-27-22(18)28)9-15(21(19)29-4)7-5-14-6-8-20(25)26-12-14/h5-13H,1-4H3,(H2,25,26)(H,27,28)/b7-5+
InChIKeyNQSRWNDRKBEABF-FNORWQNLSA-N
MW393.46 g/mol
LogP4.63
Rot. Bonds4

About 3-[3-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-5-tert-butyl-4-methoxyphenyl]-5-fluoro-1H-pyridin-2-one

3-[3-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-5-tert-butyl-4-methoxyphenyl]-5-fluoro-1H-pyridin-2-one (PubChem CID 67286786) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 3-[3-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-5-tert-butyl-4-methoxyphenyl]-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-5-tert-butyl-4-methoxyphenyl]-5-fluoro-1H-pyridin-2-one
PubChem CID67286786
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name3-[3-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-5-tert-butyl-4-methoxyphenyl]-5-fluoro-1H-pyridin-2-one
SMILESCOc1c(/C=C/c2ccc(N)nc2)cc(-c2cc(F)c[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C23H24FN3O2/c1-23(2,3)19-10-16(18-11-17(24)13-27-22(18)28)9-15(21(19)29-4)7-5-14-6-8-20(25)26-12-14/h5-13H,1-4H3,(H2,25,26)(H,27,28)/b7-5+
InChIKeyNQSRWNDRKBEABF-FNORWQNLSA-N
XLogP4.63
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(E)-2-(6-aminopyridazin-3-yl)ethenyl]-5-tert-butyl-4-methoxyphenyl]-5-fluoro-1H-pyridin-2-one
CID 67070382
N-[4-[(E)-2-[3-tert-butyl-5-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyphenyl]ethenyl]phenyl]ethanesulfonamide
CID 67070180
N-[4-[(E)-2-[3-tert-butyl-5-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide
CID 67070065
N-[4-[2-[3-tert-butyl-5-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyphenyl]ethenyl]phenyl]-3-pyrrolidin-1-ylpropane-1-sulfonamide
CID 91100268
4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide
CID 67287306
N-[4-[(E)-2-[3-tert-butyl-5-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide
CID 46841292
4-[2-[3-tert-butyl-2-methoxy-5-(6-methyl-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide
CID 67287928
N-[4-[(E)-2-[5-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-3-tert-butyl-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide
CID 66833874
N-[4-[(E)-2-[3-tert-butyl-5-[1-(chloromethyl)-5-fluoro-2-oxo-3-pyridinyl]-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide
CID 67288522
N-[6-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-3-pyridinyl]methanesulfonamide
CID 67286416
N-[4-[2-[3-tert-butyl-5-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethenyl]-3-(hydroxymethyl)phenyl]methanesulfonamide
CID 72543611
N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyrazin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide
CID 67427327

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-5-tert-butyl-4-methoxyphenyl]-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 3-[3-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-5-tert-butyl-4-methoxyphenyl]-5-fluoro-1H-pyridin-2-one (CID 67286786) is 3-[3-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-5-tert-butyl-4-methoxyphenyl]-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-5-tert-butyl-4-methoxyphenyl]-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 3-[3-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-5-tert-butyl-4-methoxyphenyl]-5-fluoro-1H-pyridin-2-one is COc1c(/C=C/c2ccc(N)nc2)cc(-c2cc(F)c[nH]c2=O)cc1C(C)(C)C.
What is the InChIKey of 3-[3-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-5-tert-butyl-4-methoxyphenyl]-5-fluoro-1H-pyridin-2-one?
The InChIKey is NQSRWNDRKBEABF-FNORWQNLSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-23(2,3)19-10-16(18-11-17(24)13-27-22(18)28)9-15(21(19)29-4)7-5-14-6-8-20(25)26-12-14/h5-13H,1-4H3,(H2,25,26)(H,27,28)/b7-5+.
What are the key properties of 3-[3-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-5-tert-butyl-4-methoxyphenyl]-5-fluoro-1H-pyridin-2-one?
3-[3-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-5-tert-butyl-4-methoxyphenyl]-5-fluoro-1H-pyridin-2-one has a molecular weight of 393.46 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-5-tert-butyl-4-methoxyphenyl]-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 67286786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).