(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2,2-dimethylpropanoate

C17H25NO3 — CID 54759855

IUPAC(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2,2-dimethylpropanoate
SMILESCc1cc(C2CCCCC2)n(OC(=O)C(C)(C)C)c(=O)c1
InChIInChI=1S/C17H25NO3/c1-12-10-14(13-8-6-5-7-9-13)18(15(19)11-12)21-16(20)17(2,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyVKTJVDWBRIBYFS-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.21
Rot. Bonds2

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

(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2,2-dimethylpropanoate (PubChem CID 54759855) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2,2-dimethylpropanoate
PubChem CID54759855
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2,2-dimethylpropanoate
SMILESCc1cc(C2CCCCC2)n(OC(=O)C(C)(C)C)c(=O)c1
InChIInChI=1S/C17H25NO3/c1-12-10-14(13-8-6-5-7-9-13)18(15(19)11-12)21-16(20)17(2,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyVKTJVDWBRIBYFS-UHFFFAOYSA-N
XLogP3.21
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ciclopirox
CID 2749
Piroctone
CID 50259
6-(Cyclohexylmethyl)-1-hydroxy-4-methylpyridin-2-one
CID 21520138
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
6-Cyclohexyl-1-ethoxy-4-methylpyridin-2-one
CID 144392814
6-Cyclohexyl-4-methyl-2-oxopyridin-1(2h)-yl acetate
CID 54759672
6-(1-Fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one
CID 54759677
6-Cyclohexyl-3-fluoro-1-hydroxy-4-methylpyridin-2-one
CID 54760966
6-Cyclohexyl-5-fluoro-1-hydroxy-4-methylpyridin-2-one
CID 54760968
6-Cyclohexyl-4-(fluoromethyl)-1-hydroxypyridin-2-one
CID 54761662

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2,2-dimethylpropanoate?
The IUPAC name of (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2,2-dimethylpropanoate (CID 54759855) is (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2,2-dimethylpropanoate?
The canonical SMILES for (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2,2-dimethylpropanoate is Cc1cc(C2CCCCC2)n(OC(=O)C(C)(C)C)c(=O)c1.
What is the InChIKey of (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2,2-dimethylpropanoate?
The InChIKey is VKTJVDWBRIBYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-10-14(13-8-6-5-7-9-13)18(15(19)11-12)21-16(20)17(2,3)4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2,2-dimethylpropanoate?
(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2,2-dimethylpropanoate has a molecular weight of 291.39 g/mol, XLogP of 3.21, 2 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) 2,2-dimethylpropanoate is sourced from PubChem (CID 54759855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).