5-fluoro-4-[[(3R)-2,2,4-trimethylpentan-3-yl]amino]-1H-pyridin-2-one

C13H21FN2O — CID 169193331

IUPAC5-fluoro-4-[[(3R)-2,2,4-trimethylpentan-3-yl]amino]-1H-pyridin-2-one
SMILESCC(C)[C@@H](Nc1cc(=O)[nH]cc1F)C(C)(C)C
InChIInChI=1S/C13H21FN2O/c1-8(2)12(13(3,4)5)16-10-6-11(17)15-7-9(10)14/h6-8,12H,1-5H3,(H2,15,16,17)/t12-/m1/s1
InChIKeyLYSKVMDCTFNSQZ-GFCCVEGCSA-N
MW240.32 g/mol
LogP3.00
Rot. Bonds3

About 5-fluoro-4-[[(3R)-2,2,4-trimethylpentan-3-yl]amino]-1H-pyridin-2-one

5-fluoro-4-[[(3R)-2,2,4-trimethylpentan-3-yl]amino]-1H-pyridin-2-one (PubChem CID 169193331) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 5-fluoro-4-[[(3R)-2,2,4-trimethylpentan-3-yl]amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-4-[[(3R)-2,2,4-trimethylpentan-3-yl]amino]-1H-pyridin-2-one
PubChem CID169193331
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name5-fluoro-4-[[(3R)-2,2,4-trimethylpentan-3-yl]amino]-1H-pyridin-2-one
SMILESCC(C)[C@@H](Nc1cc(=O)[nH]cc1F)C(C)(C)C
InChIInChI=1S/C13H21FN2O/c1-8(2)12(13(3,4)5)16-10-6-11(17)15-7-9(10)14/h6-8,12H,1-5H3,(H2,15,16,17)/t12-/m1/s1
InChIKeyLYSKVMDCTFNSQZ-GFCCVEGCSA-N
XLogP3.00
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[[(3R)-2,2,4-trimethylpentan-3-yl]amino]-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-4-[[(3R)-2,2,4-trimethylpentan-3-yl]amino]-1H-pyridin-2-one (CID 169193331) is 5-fluoro-4-[[(3R)-2,2,4-trimethylpentan-3-yl]amino]-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-4-[[(3R)-2,2,4-trimethylpentan-3-yl]amino]-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-4-[[(3R)-2,2,4-trimethylpentan-3-yl]amino]-1H-pyridin-2-one is CC(C)[C@@H](Nc1cc(=O)[nH]cc1F)C(C)(C)C.
What is the InChIKey of 5-fluoro-4-[[(3R)-2,2,4-trimethylpentan-3-yl]amino]-1H-pyridin-2-one?
The InChIKey is LYSKVMDCTFNSQZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-8(2)12(13(3,4)5)16-10-6-11(17)15-7-9(10)14/h6-8,12H,1-5H3,(H2,15,16,17)/t12-/m1/s1.
What are the key properties of 5-fluoro-4-[[(3R)-2,2,4-trimethylpentan-3-yl]amino]-1H-pyridin-2-one?
5-fluoro-4-[[(3R)-2,2,4-trimethylpentan-3-yl]amino]-1H-pyridin-2-one has a molecular weight of 240.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[[(3R)-2,2,4-trimethylpentan-3-yl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 169193331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).