methyl 6-methoxy-2-[(Z)-2-(5-methoxy-2-pyridinyl)ethenyl]-4-oxo-1H-pyridine-3-carboxylate

C16H16N2O5 — CID 141364377

IUPACmethyl 6-methoxy-2-[(Z)-2-(5-methoxy-2-pyridinyl)ethenyl]-4-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(/C=C\c2ccc(OC)cn2)[nH]c(OC)cc1=O
InChIInChI=1S/C16H16N2O5/c1-21-11-6-4-10(17-9-11)5-7-12-15(16(20)23-3)13(19)8-14(18-12)22-2/h4-9H,1-3H3,(H,18,19)/b7-5-
InChIKeyZZZQHKKGWHPOTC-ALCCZGGFSA-N
MW316.31 g/mol
LogP1.74
Rot. Bonds5

About methyl 6-methoxy-2-[(Z)-2-(5-methoxy-2-pyridinyl)ethenyl]-4-oxo-1H-pyridine-3-carboxylate

methyl 6-methoxy-2-[(Z)-2-(5-methoxy-2-pyridinyl)ethenyl]-4-oxo-1H-pyridine-3-carboxylate (PubChem CID 141364377) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is methyl 6-methoxy-2-[(Z)-2-(5-methoxy-2-pyridinyl)ethenyl]-4-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-2-[(Z)-2-(5-methoxy-2-pyridinyl)ethenyl]-4-oxo-1H-pyridine-3-carboxylate
PubChem CID141364377
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Namemethyl 6-methoxy-2-[(Z)-2-(5-methoxy-2-pyridinyl)ethenyl]-4-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(/C=C\c2ccc(OC)cn2)[nH]c(OC)cc1=O
InChIInChI=1S/C16H16N2O5/c1-21-11-6-4-10(17-9-11)5-7-12-15(16(20)23-3)13(19)8-14(18-12)22-2/h4-9H,1-3H3,(H,18,19)/b7-5-
InChIKeyZZZQHKKGWHPOTC-ALCCZGGFSA-N
XLogP1.74
TPSA90.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-2-[(Z)-2-(5-methoxy-2-pyridinyl)ethenyl]-4-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-methoxy-2-[(Z)-2-(5-methoxy-2-pyridinyl)ethenyl]-4-oxo-1H-pyridine-3-carboxylate (CID 141364377) is methyl 6-methoxy-2-[(Z)-2-(5-methoxy-2-pyridinyl)ethenyl]-4-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-methoxy-2-[(Z)-2-(5-methoxy-2-pyridinyl)ethenyl]-4-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-methoxy-2-[(Z)-2-(5-methoxy-2-pyridinyl)ethenyl]-4-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c(/C=C\c2ccc(OC)cn2)[nH]c(OC)cc1=O.
What is the InChIKey of methyl 6-methoxy-2-[(Z)-2-(5-methoxy-2-pyridinyl)ethenyl]-4-oxo-1H-pyridine-3-carboxylate?
The InChIKey is ZZZQHKKGWHPOTC-ALCCZGGFSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-21-11-6-4-10(17-9-11)5-7-12-15(16(20)23-3)13(19)8-14(18-12)22-2/h4-9H,1-3H3,(H,18,19)/b7-5-.
What are the key properties of methyl 6-methoxy-2-[(Z)-2-(5-methoxy-2-pyridinyl)ethenyl]-4-oxo-1H-pyridine-3-carboxylate?
methyl 6-methoxy-2-[(Z)-2-(5-methoxy-2-pyridinyl)ethenyl]-4-oxo-1H-pyridine-3-carboxylate has a molecular weight of 316.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-2-[(Z)-2-(5-methoxy-2-pyridinyl)ethenyl]-4-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 141364377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).