(2,2-dimethylcyclohexyl)methyl 1-(2-methylpropyl)-2-oxopyridine-3-carboxylate

C19H29NO3 — CID 167908502

IUPAC(2,2-dimethylcyclohexyl)methyl 1-(2-methylpropyl)-2-oxopyridine-3-carboxylate
SMILESCC(C)Cn1cccc(C(=O)OCC2CCCCC2(C)C)c1=O
InChIInChI=1S/C19H29NO3/c1-14(2)12-20-11-7-9-16(17(20)21)18(22)23-13-15-8-5-6-10-19(15,3)4/h7,9,11,14-15H,5-6,8,10,12-13H2,1-4H3
InChIKeyWQXICBBISXJIOR-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.88
Rot. Bonds5

About (2,2-dimethylcyclohexyl)methyl 1-(2-methylpropyl)-2-oxopyridine-3-carboxylate

(2,2-dimethylcyclohexyl)methyl 1-(2-methylpropyl)-2-oxopyridine-3-carboxylate (PubChem CID 167908502) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)methyl 1-(2-methylpropyl)-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)methyl 1-(2-methylpropyl)-2-oxopyridine-3-carboxylate
PubChem CID167908502
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name(2,2-dimethylcyclohexyl)methyl 1-(2-methylpropyl)-2-oxopyridine-3-carboxylate
SMILESCC(C)Cn1cccc(C(=O)OCC2CCCCC2(C)C)c1=O
InChIInChI=1S/C19H29NO3/c1-14(2)12-20-11-7-9-16(17(20)21)18(22)23-13-15-8-5-6-10-19(15,3)4/h7,9,11,14-15H,5-6,8,10,12-13H2,1-4H3
InChIKeyWQXICBBISXJIOR-UHFFFAOYSA-N
XLogP3.88
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)methyl 1-(2-methylpropyl)-2-oxopyridine-3-carboxylate?
The IUPAC name of (2,2-dimethylcyclohexyl)methyl 1-(2-methylpropyl)-2-oxopyridine-3-carboxylate (CID 167908502) is (2,2-dimethylcyclohexyl)methyl 1-(2-methylpropyl)-2-oxopyridine-3-carboxylate.
What is the SMILES notation for (2,2-dimethylcyclohexyl)methyl 1-(2-methylpropyl)-2-oxopyridine-3-carboxylate?
The canonical SMILES for (2,2-dimethylcyclohexyl)methyl 1-(2-methylpropyl)-2-oxopyridine-3-carboxylate is CC(C)Cn1cccc(C(=O)OCC2CCCCC2(C)C)c1=O.
What is the InChIKey of (2,2-dimethylcyclohexyl)methyl 1-(2-methylpropyl)-2-oxopyridine-3-carboxylate?
The InChIKey is WQXICBBISXJIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-14(2)12-20-11-7-9-16(17(20)21)18(22)23-13-15-8-5-6-10-19(15,3)4/h7,9,11,14-15H,5-6,8,10,12-13H2,1-4H3.
What are the key properties of (2,2-dimethylcyclohexyl)methyl 1-(2-methylpropyl)-2-oxopyridine-3-carboxylate?
(2,2-dimethylcyclohexyl)methyl 1-(2-methylpropyl)-2-oxopyridine-3-carboxylate has a molecular weight of 319.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)methyl 1-(2-methylpropyl)-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 167908502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).