1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxopyridine-3-carbonitrile

C23H19ClN2O4 — CID 19118427

IUPAC1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(OCC(=O)c2c(C)c(C#N)c(=O)n(Cc3ccccc3Cl)c2O)cc1
InChIInChI=1S/C23H19ClN2O4/c1-14-7-9-17(10-8-14)30-13-20(27)21-15(2)18(11-25)22(28)26(23(21)29)12-16-5-3-4-6-19(16)24/h3-10,29H,12-13H2,1-2H3
InChIKeySZOAWVXBRXSPSQ-UHFFFAOYSA-N
MW422.87 g/mol
LogP4.01
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxopyridine-3-carbonitrile

1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxopyridine-3-carbonitrile (PubChem CID 19118427) has the molecular formula C23H19ClN2O4 and a molecular weight of 422.87 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxopyridine-3-carbonitrile
PubChem CID19118427
Molecular FormulaC23H19ClN2O4
Molecular Weight422.87 g/mol
Exact Mass422.10
IUPAC Name1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(OCC(=O)c2c(C)c(C#N)c(=O)n(Cc3ccccc3Cl)c2O)cc1
InChIInChI=1S/C23H19ClN2O4/c1-14-7-9-17(10-8-14)30-13-20(27)21-15(2)18(11-25)22(28)26(23(21)29)12-16-5-3-4-6-19(16)24/h3-10,29H,12-13H2,1-2H3
InChIKeySZOAWVXBRXSPSQ-UHFFFAOYSA-N
XLogP4.01
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-(4-methylbenzoyl)-2-oxopyridine-3-carbonitrile
CID 19118411
5-[2-(4-ethylphenoxy)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 19117958
1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile
CID 19118482
6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 19116820
5-[2-(2-chlorophenoxy)acetyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117782
5-[2-(4-chlorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 19116816
1-[(2-chlorophenyl)methyl]-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118500
1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-2-oxo-5-(3,4,5-trimethoxybenzoyl)pyridine-3-carbonitrile
CID 19118446
6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile
CID 19116016
5-[2-(4-chlorophenyl)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 19117970
1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-2-oxo-5-(3,4,6-trimethyl-1-benzofuran-2-carbonyl)pyridine-3-carbonitrile
CID 19118520
6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile
CID 19117086

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxopyridine-3-carbonitrile (CID 19118427) is 1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxopyridine-3-carbonitrile is Cc1ccc(OCC(=O)c2c(C)c(C#N)c(=O)n(Cc3ccccc3Cl)c2O)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is SZOAWVXBRXSPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O4/c1-14-7-9-17(10-8-14)30-13-20(27)21-15(2)18(11-25)22(28)26(23(21)29)12-16-5-3-4-6-19(16)24/h3-10,29H,12-13H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxopyridine-3-carbonitrile?
1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 422.87 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19118427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).