[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] hydrogen carbonate

C14H14N2O4 — CID 71082836

IUPAC[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] hydrogen carbonate
SMILESCCc1cc(-c2cncc(OC(=O)O)c2)c(C)[nH]c1=O
InChIInChI=1S/C14H14N2O4/c1-3-9-5-12(8(2)16-13(9)17)10-4-11(7-15-6-10)20-14(18)19/h4-7H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZLFUEEXMEKLRJS-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.36
Rot. Bonds3

About [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] hydrogen carbonate

[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] hydrogen carbonate (PubChem CID 71082836) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] hydrogen carbonate.

Molecular Properties

Compound Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] hydrogen carbonate
PubChem CID71082836
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] hydrogen carbonate
SMILESCCc1cc(-c2cncc(OC(=O)O)c2)c(C)[nH]c1=O
InChIInChI=1S/C14H14N2O4/c1-3-9-5-12(8(2)16-13(9)17)10-4-11(7-15-6-10)20-14(18)19/h4-7H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZLFUEEXMEKLRJS-UHFFFAOYSA-N
XLogP2.36
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] hydrogen carbonate?
The IUPAC name of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] hydrogen carbonate (CID 71082836) is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] hydrogen carbonate.
What is the SMILES notation for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] hydrogen carbonate?
The canonical SMILES for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] hydrogen carbonate is CCc1cc(-c2cncc(OC(=O)O)c2)c(C)[nH]c1=O.
What is the InChIKey of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] hydrogen carbonate?
The InChIKey is ZLFUEEXMEKLRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-9-5-12(8(2)16-13(9)17)10-4-11(7-15-6-10)20-14(18)19/h4-7H,3H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] hydrogen carbonate?
[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] hydrogen carbonate has a molecular weight of 274.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] hydrogen carbonate is sourced from PubChem (CID 71082836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).