1-pyridin-2-ylethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate

C14H14N2O3 — CID 84601041

IUPAC1-pyridin-2-ylethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate
SMILESCc1cc(C(=O)OC(C)c2ccccn2)cc(=O)[nH]1
InChIInChI=1S/C14H14N2O3/c1-9-7-11(8-13(17)16-9)14(18)19-10(2)12-5-3-4-6-15-12/h3-8,10H,1-2H3,(H,16,17)
InChIKeySOLYPQDJGGROBJ-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.00
Rot. Bonds3

About 1-pyridin-2-ylethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate

1-pyridin-2-ylethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate (PubChem CID 84601041) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-pyridin-2-ylethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Name1-pyridin-2-ylethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate
PubChem CID84601041
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-pyridin-2-ylethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate
SMILESCc1cc(C(=O)OC(C)c2ccccn2)cc(=O)[nH]1
InChIInChI=1S/C14H14N2O3/c1-9-7-11(8-13(17)16-9)14(18)19-10(2)12-5-3-4-6-15-12/h3-8,10H,1-2H3,(H,16,17)
InChIKeySOLYPQDJGGROBJ-UHFFFAOYSA-N
XLogP2.00
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.00
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 2-methyl-6-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of 1-pyridin-2-ylethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate (CID 84601041) is 1-pyridin-2-ylethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for 1-pyridin-2-ylethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for 1-pyridin-2-ylethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate is Cc1cc(C(=O)OC(C)c2ccccn2)cc(=O)[nH]1.
What is the InChIKey of 1-pyridin-2-ylethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate?
The InChIKey is SOLYPQDJGGROBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-7-11(8-13(17)16-9)14(18)19-10(2)12-5-3-4-6-15-12/h3-8,10H,1-2H3,(H,16,17).
What are the key properties of 1-pyridin-2-ylethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate?
1-pyridin-2-ylethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 2.00, 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 2-methyl-6-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 84601041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).