methyl 6-methoxy-4-oxo-2-[(E)-2-pyridin-3-ylethenyl]-1H-pyridine-3-carboxylate

C15H14N2O4 — CID 141364356

IUPACmethyl 6-methoxy-4-oxo-2-[(E)-2-pyridin-3-ylethenyl]-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(/C=C/c2cccnc2)[nH]c(OC)cc1=O
InChIInChI=1S/C15H14N2O4/c1-20-13-8-12(18)14(15(19)21-2)11(17-13)6-5-10-4-3-7-16-9-10/h3-9H,1-2H3,(H,17,18)/b6-5+
InChIKeyTWVUDGVTUVXPJU-AATRIKPKSA-N
MW286.29 g/mol
LogP1.74
Rot. Bonds4

About methyl 6-methoxy-4-oxo-2-[(E)-2-pyridin-3-ylethenyl]-1H-pyridine-3-carboxylate

methyl 6-methoxy-4-oxo-2-[(E)-2-pyridin-3-ylethenyl]-1H-pyridine-3-carboxylate (PubChem CID 141364356) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is methyl 6-methoxy-4-oxo-2-[(E)-2-pyridin-3-ylethenyl]-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-4-oxo-2-[(E)-2-pyridin-3-ylethenyl]-1H-pyridine-3-carboxylate
PubChem CID141364356
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Namemethyl 6-methoxy-4-oxo-2-[(E)-2-pyridin-3-ylethenyl]-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(/C=C/c2cccnc2)[nH]c(OC)cc1=O
InChIInChI=1S/C15H14N2O4/c1-20-13-8-12(18)14(15(19)21-2)11(17-13)6-5-10-4-3-7-16-9-10/h3-9H,1-2H3,(H,17,18)/b6-5+
InChIKeyTWVUDGVTUVXPJU-AATRIKPKSA-N
XLogP1.74
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-4-oxo-2-[(E)-2-pyridin-3-ylethenyl]-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-methoxy-4-oxo-2-[(E)-2-pyridin-3-ylethenyl]-1H-pyridine-3-carboxylate (CID 141364356) is methyl 6-methoxy-4-oxo-2-[(E)-2-pyridin-3-ylethenyl]-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-methoxy-4-oxo-2-[(E)-2-pyridin-3-ylethenyl]-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-methoxy-4-oxo-2-[(E)-2-pyridin-3-ylethenyl]-1H-pyridine-3-carboxylate is COC(=O)c1c(/C=C/c2cccnc2)[nH]c(OC)cc1=O.
What is the InChIKey of methyl 6-methoxy-4-oxo-2-[(E)-2-pyridin-3-ylethenyl]-1H-pyridine-3-carboxylate?
The InChIKey is TWVUDGVTUVXPJU-AATRIKPKSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-20-13-8-12(18)14(15(19)21-2)11(17-13)6-5-10-4-3-7-16-9-10/h3-9H,1-2H3,(H,17,18)/b6-5+.
What are the key properties of methyl 6-methoxy-4-oxo-2-[(E)-2-pyridin-3-ylethenyl]-1H-pyridine-3-carboxylate?
methyl 6-methoxy-4-oxo-2-[(E)-2-pyridin-3-ylethenyl]-1H-pyridine-3-carboxylate has a molecular weight of 286.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-4-oxo-2-[(E)-2-pyridin-3-ylethenyl]-1H-pyridine-3-carboxylate is sourced from PubChem (CID 141364356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).