5-[2-(5-fluoro-2-oxo-3-propan-2-yl-1-pyridinyl)propyl]-1,3-di(propan-2-yl)pyridin-2-one

C22H31FN2O2 — CID 130388598

IUPAC5-[2-(5-fluoro-2-oxo-3-propan-2-yl-1-pyridinyl)propyl]-1,3-di(propan-2-yl)pyridin-2-one
SMILESCC(C)c1cc(CC(C)n2cc(F)cc(C(C)C)c2=O)cn(C(C)C)c1=O
InChIInChI=1S/C22H31FN2O2/c1-13(2)19-9-17(11-24(15(5)6)21(19)26)8-16(7)25-12-18(23)10-20(14(3)4)22(25)27/h9-16H,8H2,1-7H3
InChIKeyJMSUGLFKTJQWQD-UHFFFAOYSA-N
MW374.50 g/mol
LogP4.78
Rot. Bonds6

About 5-[2-(5-fluoro-2-oxo-3-propan-2-yl-1-pyridinyl)propyl]-1,3-di(propan-2-yl)pyridin-2-one

5-[2-(5-fluoro-2-oxo-3-propan-2-yl-1-pyridinyl)propyl]-1,3-di(propan-2-yl)pyridin-2-one (PubChem CID 130388598) has the molecular formula C22H31FN2O2 and a molecular weight of 374.50 g/mol. Its IUPAC name is 5-[2-(5-fluoro-2-oxo-3-propan-2-yl-1-pyridinyl)propyl]-1,3-di(propan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name5-[2-(5-fluoro-2-oxo-3-propan-2-yl-1-pyridinyl)propyl]-1,3-di(propan-2-yl)pyridin-2-one
PubChem CID130388598
Molecular FormulaC22H31FN2O2
Molecular Weight374.50 g/mol
Exact Mass374.24
IUPAC Name5-[2-(5-fluoro-2-oxo-3-propan-2-yl-1-pyridinyl)propyl]-1,3-di(propan-2-yl)pyridin-2-one
SMILESCC(C)c1cc(CC(C)n2cc(F)cc(C(C)C)c2=O)cn(C(C)C)c1=O
InChIInChI=1S/C22H31FN2O2/c1-13(2)19-9-17(11-24(15(5)6)21(19)26)8-16(7)25-12-18(23)10-20(14(3)4)22(25)27/h9-16H,8H2,1-7H3
InChIKeyJMSUGLFKTJQWQD-UHFFFAOYSA-N
XLogP4.78
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-2-oxo-3-propan-2-yl-1-pyridinyl)propyl]-1,3-di(propan-2-yl)pyridin-2-one?
The IUPAC name of 5-[2-(5-fluoro-2-oxo-3-propan-2-yl-1-pyridinyl)propyl]-1,3-di(propan-2-yl)pyridin-2-one (CID 130388598) is 5-[2-(5-fluoro-2-oxo-3-propan-2-yl-1-pyridinyl)propyl]-1,3-di(propan-2-yl)pyridin-2-one.
What is the SMILES notation for 5-[2-(5-fluoro-2-oxo-3-propan-2-yl-1-pyridinyl)propyl]-1,3-di(propan-2-yl)pyridin-2-one?
The canonical SMILES for 5-[2-(5-fluoro-2-oxo-3-propan-2-yl-1-pyridinyl)propyl]-1,3-di(propan-2-yl)pyridin-2-one is CC(C)c1cc(CC(C)n2cc(F)cc(C(C)C)c2=O)cn(C(C)C)c1=O.
What is the InChIKey of 5-[2-(5-fluoro-2-oxo-3-propan-2-yl-1-pyridinyl)propyl]-1,3-di(propan-2-yl)pyridin-2-one?
The InChIKey is JMSUGLFKTJQWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O2/c1-13(2)19-9-17(11-24(15(5)6)21(19)26)8-16(7)25-12-18(23)10-20(14(3)4)22(25)27/h9-16H,8H2,1-7H3.
What are the key properties of 5-[2-(5-fluoro-2-oxo-3-propan-2-yl-1-pyridinyl)propyl]-1,3-di(propan-2-yl)pyridin-2-one?
5-[2-(5-fluoro-2-oxo-3-propan-2-yl-1-pyridinyl)propyl]-1,3-di(propan-2-yl)pyridin-2-one has a molecular weight of 374.50 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-fluoro-2-oxo-3-propan-2-yl-1-pyridinyl)propyl]-1,3-di(propan-2-yl)pyridin-2-one is sourced from PubChem (CID 130388598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).