5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile

C21H16N2O4 — CID 2368060

IUPAC5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1ccccc1-n1cc(C(=O)c2cc(C)ccc2O)cc(C#N)c1=O
InChIInChI=1S/C21H16N2O4/c1-13-7-8-18(24)16(9-13)20(25)15-10-14(11-22)21(26)23(12-15)17-5-3-4-6-19(17)27-2/h3-10,12,24H,1-2H3
InChIKeyRSHKAZCHIPVQPI-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.96
Rot. Bonds4

About 5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile

5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 2368060) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile
PubChem CID2368060
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1ccccc1-n1cc(C(=O)c2cc(C)ccc2O)cc(C#N)c1=O
InChIInChI=1S/C21H16N2O4/c1-13-7-8-18(24)16(9-13)20(25)15-10-14(11-22)21(26)23(12-15)17-5-3-4-6-19(17)27-2/h3-10,12,24H,1-2H3
InChIKeyRSHKAZCHIPVQPI-UHFFFAOYSA-N
XLogP2.96
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile (CID 2368060) is 5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile is COc1ccccc1-n1cc(C(=O)c2cc(C)ccc2O)cc(C#N)c1=O.
What is the InChIKey of 5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is RSHKAZCHIPVQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-13-7-8-18(24)16(9-13)20(25)15-10-14(11-22)21(26)23(12-15)17-5-3-4-6-19(17)27-2/h3-10,12,24H,1-2H3.
What are the key properties of 5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 360.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 2368060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).