5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile

C19H19ClN2O4 — CID 19114995

IUPAC5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(OC(C)C(=O)c2c(C)c(C#N)c(=O)n(C)c2O)cc(C)c1Cl
InChIInChI=1S/C19H19ClN2O4/c1-9-6-13(7-10(2)16(9)20)26-12(4)17(23)15-11(3)14(8-21)18(24)22(5)19(15)25/h6-7,12,25H,1-5H3
InChIKeyCJGHPRYXDFCOFQ-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.19
Rot. Bonds4

About 5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile

5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 19114995) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID19114995
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(OC(C)C(=O)c2c(C)c(C#N)c(=O)n(C)c2O)cc(C)c1Cl
InChIInChI=1S/C19H19ClN2O4/c1-9-6-13(7-10(2)16(9)20)26-12(4)17(23)15-11(3)14(8-21)18(24)22(5)19(15)25/h6-7,12,25H,1-5H3
InChIKeyCJGHPRYXDFCOFQ-UHFFFAOYSA-N
XLogP3.19
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115393
5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile
CID 19115526
1-benzyl-5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116730
5-[2-(2,3-dimethylphenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 19114998
6-hydroxy-1,4-dimethyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile
CID 19115005
5-[2-(4-chloro-3-methylphenoxy)propanoyl]-1-(3-ethoxypropyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117265
5-[2-(4-chloro-3-methylphenoxy)propanoyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 19117935
5-[2-(3,4-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 19117670
5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
CID 19115788
1-butan-2-yl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)propanoyl]pyridine-3-carbonitrile
CID 19115954
1-cyclohexyl-5-[2-(3,5-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116331
5-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 19115264

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (CID 19114995) is 5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cc(OC(C)C(=O)c2c(C)c(C#N)c(=O)n(C)c2O)cc(C)c1Cl.
What is the InChIKey of 5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is CJGHPRYXDFCOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-9-6-13(7-10(2)16(9)20)26-12(4)17(23)15-11(3)14(8-21)18(24)22(5)19(15)25/h6-7,12,25H,1-5H3.
What are the key properties of 5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 374.82 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19114995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).