1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C22H24N2O4 — CID 19116359

IUPAC1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCOc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(C2CCCCC2)c1O
InChIInChI=1S/C22H24N2O4/c1-3-28-18-12-8-7-11-16(18)20(25)19-14(2)17(13-23)21(26)24(22(19)27)15-9-5-4-6-10-15/h7-8,11-12,15,27H,3-6,9-10H2,1-2H3
InChIKeyKVDSFSCJIULCDG-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.87
Rot. Bonds5

About 1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19116359) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19116359
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCOc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(C2CCCCC2)c1O
InChIInChI=1S/C22H24N2O4/c1-3-28-18-12-8-7-11-16(18)20(25)19-14(2)17(13-23)21(26)24(22(19)27)15-9-5-4-6-10-15/h7-8,11-12,15,27H,3-6,9-10H2,1-2H3
InChIKeyKVDSFSCJIULCDG-UHFFFAOYSA-N
XLogP3.87
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19116359) is 1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is CCOc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(C2CCCCC2)c1O.
What is the InChIKey of 1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is KVDSFSCJIULCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-28-18-12-8-7-11-16(18)20(25)19-14(2)17(13-23)21(26)24(22(19)27)15-9-5-4-6-10-15/h7-8,11-12,15,27H,3-6,9-10H2,1-2H3.
What are the key properties of 1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 380.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19116359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).