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

C17H15ClN2O3 — CID 19115161

IUPAC5-[2-(4-chlorophenyl)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C(=O)Cc2ccc(Cl)cc2)c(C)c(C#N)c1=O
InChIInChI=1S/C17H15ClN2O3/c1-3-20-16(22)13(9-19)10(2)15(17(20)23)14(21)8-11-4-6-12(18)7-5-11/h4-7,23H,3,8H2,1-2H3
InChIKeyOTGPDUOIFQJWRF-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.83
Rot. Bonds4

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

5-[2-(4-chlorophenyl)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19115161) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19115161
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name5-[2-(4-chlorophenyl)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C(=O)Cc2ccc(Cl)cc2)c(C)c(C#N)c1=O
InChIInChI=1S/C17H15ClN2O3/c1-3-20-16(22)13(9-19)10(2)15(17(20)23)14(21)8-11-4-6-12(18)7-5-11/h4-7,23H,3,8H2,1-2H3
InChIKeyOTGPDUOIFQJWRF-UHFFFAOYSA-N
XLogP2.83
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[2-(4-chlorophenyl)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19115161) is 5-[2-(4-chlorophenyl)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-(4-chlorophenyl)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[2-(4-chlorophenyl)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is CCn1c(O)c(C(=O)Cc2ccc(Cl)cc2)c(C)c(C#N)c1=O.
What is the InChIKey of 5-[2-(4-chlorophenyl)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is OTGPDUOIFQJWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-3-20-16(22)13(9-19)10(2)15(17(20)23)14(21)8-11-4-6-12(18)7-5-11/h4-7,23H,3,8H2,1-2H3.
What are the key properties of 5-[2-(4-chlorophenyl)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
5-[2-(4-chlorophenyl)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 330.77 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).