6-hydroxy-5-(3-methoxybenzoyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile

C16H14N2O4 — CID 19114943

IUPAC6-hydroxy-5-(3-methoxybenzoyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCOc1cccc(C(=O)c2c(C)c(C#N)c(=O)n(C)c2O)c1
InChIInChI=1S/C16H14N2O4/c1-9-12(8-17)15(20)18(2)16(21)13(9)14(19)10-5-4-6-11(7-10)22-3/h4-7,21H,1-3H3
InChIKeyIFFBLZGCHKMCIX-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.51
Rot. Bonds3

About 6-hydroxy-5-(3-methoxybenzoyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile

6-hydroxy-5-(3-methoxybenzoyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 19114943) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 6-hydroxy-5-(3-methoxybenzoyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-5-(3-methoxybenzoyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID19114943
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name6-hydroxy-5-(3-methoxybenzoyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCOc1cccc(C(=O)c2c(C)c(C#N)c(=O)n(C)c2O)c1
InChIInChI=1S/C16H14N2O4/c1-9-12(8-17)15(20)18(2)16(21)13(9)14(19)10-5-4-6-11(7-10)22-3/h4-7,21H,1-3H3
InChIKeyIFFBLZGCHKMCIX-UHFFFAOYSA-N
XLogP1.51
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydroxy-5-(3-methoxybenzoyl)-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116944
6-hydroxy-5-(3-methoxybenzoyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 19117614
5-(3-butoxybenzoyl)-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118085
6-hydroxy-1,4-dimethyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile
CID 19114939
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
1-hexyl-6-hydroxy-4-methyl-2-oxo-5-(3-propoxybenzoyl)pyridine-3-carbonitrile
CID 19118753
6-hydroxy-1,4-dimethyl-2-oxo-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile
CID 19114959
5-(4-heptoxybenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 19114984
5-(3-butoxybenzoyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118218
6-hydroxy-4-methyl-5-(3-methylbenzoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 19116003
6-hydroxy-4-methyl-5-(3-methylbenzoyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 19117877
6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-5-(3,4,5-trimethoxybenzoyl)pyridine-3-carbonitrile
CID 19118045

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(3-methoxybenzoyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-5-(3-methoxybenzoyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile (CID 19114943) is 6-hydroxy-5-(3-methoxybenzoyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-5-(3-methoxybenzoyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-5-(3-methoxybenzoyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile is COc1cccc(C(=O)c2c(C)c(C#N)c(=O)n(C)c2O)c1.
What is the InChIKey of 6-hydroxy-5-(3-methoxybenzoyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is IFFBLZGCHKMCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-9-12(8-17)15(20)18(2)16(21)13(9)14(19)10-5-4-6-11(7-10)22-3/h4-7,21H,1-3H3.
What are the key properties of 6-hydroxy-5-(3-methoxybenzoyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
6-hydroxy-5-(3-methoxybenzoyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 298.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(3-methoxybenzoyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19114943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).