(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) propanoate

C15H21NO3 — CID 54759673

IUPAC(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) propanoate
SMILESCCC(=O)On1c(C2CCCCC2)cc(C)cc1=O
InChIInChI=1S/C15H21NO3/c1-3-15(18)19-16-13(9-11(2)10-14(16)17)12-7-5-4-6-8-12/h9-10,12H,3-8H2,1-2H3
InChIKeyOJEGHORDIXHOHS-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.57
Rot. Bonds3

About (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) propanoate

(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) propanoate (PubChem CID 54759673) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) propanoate.

Molecular Properties

Compound Name(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) propanoate
PubChem CID54759673
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) propanoate
SMILESCCC(=O)On1c(C2CCCCC2)cc(C)cc1=O
InChIInChI=1S/C15H21NO3/c1-3-15(18)19-16-13(9-11(2)10-14(16)17)12-7-5-4-6-8-12/h9-10,12H,3-8H2,1-2H3
InChIKeyOJEGHORDIXHOHS-UHFFFAOYSA-N
XLogP2.57
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ciclopirox
CID 2749
Piroctone
CID 50259
6-Cyclohexyl-1-hydroxypyridin-2-one
CID 25069320
6-(Cyclohexylmethyl)-1-hydroxy-4-methylpyridin-2-one
CID 21520138
3-Bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
CID 139553634
6-Cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one
CID 139553636
6-Cyclohexyl-4-ethyl-1-hydroxypyridin-2-one
CID 155539656
Methyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate
CID 155525711
3-Chloro-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
CID 155538721
2-[(2-Cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetic acid
CID 155552098
6-Cyclohexyl-1-hydroxy-4-methyl-2-oxopyridine-3-carbaldehyde
CID 139553633
6-Cyclohexyl-1-ethoxy-4-methylpyridin-2-one
CID 144392814

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) propanoate?
The IUPAC name of (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) propanoate (CID 54759673) is (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) propanoate.
What is the SMILES notation for (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) propanoate?
The canonical SMILES for (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) propanoate is CCC(=O)On1c(C2CCCCC2)cc(C)cc1=O.
What is the InChIKey of (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) propanoate?
The InChIKey is OJEGHORDIXHOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-15(18)19-16-13(9-11(2)10-14(16)17)12-7-5-4-6-8-12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) propanoate?
(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) propanoate has a molecular weight of 263.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) propanoate is sourced from PubChem (CID 54759673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).