(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 3-hydroxy-2-[(2-hydroxyacetyl)oxymethyl]-2-methylpropanoate

C19H27NO7 — CID 58519895

IUPAC(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 3-hydroxy-2-[(2-hydroxyacetyl)oxymethyl]-2-methylpropanoate
SMILESCc1cc(C2CCCCC2)n(OC(=O)C(C)(CO)COC(=O)CO)c(=O)c1
InChIInChI=1S/C19H27NO7/c1-13-8-15(14-6-4-3-5-7-14)20(16(23)9-13)27-18(25)19(2,11-22)12-26-17(24)10-21/h8-9,14,21-22H,3-7,10-12H2,1-2H3
InChIKeyGOHRYPILAFAVKL-UHFFFAOYSA-N
MW381.43 g/mol
LogP0.69
Rot. Bonds7

About (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 3-hydroxy-2-[(2-hydroxyacetyl)oxymethyl]-2-methylpropanoate

(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 3-hydroxy-2-[(2-hydroxyacetyl)oxymethyl]-2-methylpropanoate (PubChem CID 58519895) has the molecular formula C19H27NO7 and a molecular weight of 381.43 g/mol. Its IUPAC name is (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 3-hydroxy-2-[(2-hydroxyacetyl)oxymethyl]-2-methylpropanoate.

Molecular Properties

Compound Name(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 3-hydroxy-2-[(2-hydroxyacetyl)oxymethyl]-2-methylpropanoate
PubChem CID58519895
Molecular FormulaC19H27NO7
Molecular Weight381.43 g/mol
Exact Mass381.18
IUPAC Name(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 3-hydroxy-2-[(2-hydroxyacetyl)oxymethyl]-2-methylpropanoate
SMILESCc1cc(C2CCCCC2)n(OC(=O)C(C)(CO)COC(=O)CO)c(=O)c1
InChIInChI=1S/C19H27NO7/c1-13-8-15(14-6-4-3-5-7-14)20(16(23)9-13)27-18(25)19(2,11-22)12-26-17(24)10-21/h8-9,14,21-22H,3-7,10-12H2,1-2H3
InChIKeyGOHRYPILAFAVKL-UHFFFAOYSA-N
XLogP0.69
TPSA115.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Methyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate
CID 155525711
2-[(2-Cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetic acid
CID 155552098

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 3-hydroxy-2-[(2-hydroxyacetyl)oxymethyl]-2-methylpropanoate?
The IUPAC name of (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 3-hydroxy-2-[(2-hydroxyacetyl)oxymethyl]-2-methylpropanoate (CID 58519895) is (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 3-hydroxy-2-[(2-hydroxyacetyl)oxymethyl]-2-methylpropanoate.
What is the SMILES notation for (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 3-hydroxy-2-[(2-hydroxyacetyl)oxymethyl]-2-methylpropanoate?
The canonical SMILES for (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 3-hydroxy-2-[(2-hydroxyacetyl)oxymethyl]-2-methylpropanoate is Cc1cc(C2CCCCC2)n(OC(=O)C(C)(CO)COC(=O)CO)c(=O)c1.
What is the InChIKey of (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 3-hydroxy-2-[(2-hydroxyacetyl)oxymethyl]-2-methylpropanoate?
The InChIKey is GOHRYPILAFAVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO7/c1-13-8-15(14-6-4-3-5-7-14)20(16(23)9-13)27-18(25)19(2,11-22)12-26-17(24)10-21/h8-9,14,21-22H,3-7,10-12H2,1-2H3.
What are the key properties of (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 3-hydroxy-2-[(2-hydroxyacetyl)oxymethyl]-2-methylpropanoate?
(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 3-hydroxy-2-[(2-hydroxyacetyl)oxymethyl]-2-methylpropanoate has a molecular weight of 381.43 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 3-hydroxy-2-[(2-hydroxyacetyl)oxymethyl]-2-methylpropanoate is sourced from PubChem (CID 58519895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).