6-hydroxy-5-(3-methoxybenzoyl)-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile

C18H18N2O5 — CID 19116944

IUPAC6-hydroxy-5-(3-methoxybenzoyl)-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOCCn1c(O)c(C(=O)c2cccc(OC)c2)c(C)c(C#N)c1=O
InChIInChI=1S/C18H18N2O5/c1-11-14(10-19)17(22)20(7-8-24-2)18(23)15(11)16(21)12-5-4-6-13(9-12)25-3/h4-6,9,23H,7-8H2,1-3H3
InChIKeyZDKRTYDUJRFJJD-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.62
Rot. Bonds6

About 6-hydroxy-5-(3-methoxybenzoyl)-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile

6-hydroxy-5-(3-methoxybenzoyl)-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19116944) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 6-hydroxy-5-(3-methoxybenzoyl)-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-5-(3-methoxybenzoyl)-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19116944
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name6-hydroxy-5-(3-methoxybenzoyl)-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOCCn1c(O)c(C(=O)c2cccc(OC)c2)c(C)c(C#N)c1=O
InChIInChI=1S/C18H18N2O5/c1-11-14(10-19)17(22)20(7-8-24-2)18(23)15(11)16(21)12-5-4-6-13(9-12)25-3/h4-6,9,23H,7-8H2,1-3H3
InChIKeyZDKRTYDUJRFJJD-UHFFFAOYSA-N
XLogP1.62
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(3-methoxybenzoyl)-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-5-(3-methoxybenzoyl)-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile (CID 19116944) is 6-hydroxy-5-(3-methoxybenzoyl)-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-5-(3-methoxybenzoyl)-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-5-(3-methoxybenzoyl)-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile is COCCn1c(O)c(C(=O)c2cccc(OC)c2)c(C)c(C#N)c1=O.
What is the InChIKey of 6-hydroxy-5-(3-methoxybenzoyl)-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is ZDKRTYDUJRFJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-11-14(10-19)17(22)20(7-8-24-2)18(23)15(11)16(21)12-5-4-6-13(9-12)25-3/h4-6,9,23H,7-8H2,1-3H3.
What are the key properties of 6-hydroxy-5-(3-methoxybenzoyl)-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile?
6-hydroxy-5-(3-methoxybenzoyl)-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 342.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(3-methoxybenzoyl)-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19116944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).