1-pyridin-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate

C15H16N2O3 — CID 75505001

IUPAC1-pyridin-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCc1cc(C)c(C(=O)OC(C)c2ccccn2)c(=O)[nH]1
InChIInChI=1S/C15H16N2O3/c1-9-8-10(2)17-14(18)13(9)15(19)20-11(3)12-6-4-5-7-16-12/h4-8,11H,1-3H3,(H,17,18)
InChIKeyXDNVYKSXEUYYJB-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.30
Rot. Bonds3

About 1-pyridin-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate

1-pyridin-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 75505001) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-pyridin-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name1-pyridin-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
PubChem CID75505001
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-pyridin-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCc1cc(C)c(C(=O)OC(C)c2ccccn2)c(=O)[nH]1
InChIInChI=1S/C15H16N2O3/c1-9-8-10(2)17-14(18)13(9)15(19)20-11(3)12-6-4-5-7-16-12/h4-8,11H,1-3H3,(H,17,18)
InChIKeyXDNVYKSXEUYYJB-UHFFFAOYSA-N
XLogP2.30
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of 1-pyridin-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate (CID 75505001) is 1-pyridin-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for 1-pyridin-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for 1-pyridin-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate is Cc1cc(C)c(C(=O)OC(C)c2ccccn2)c(=O)[nH]1.
What is the InChIKey of 1-pyridin-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is XDNVYKSXEUYYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-8-10(2)17-14(18)13(9)15(19)20-11(3)12-6-4-5-7-16-12/h4-8,11H,1-3H3,(H,17,18).
What are the key properties of 1-pyridin-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate?
1-pyridin-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 75505001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).