5-cyclohexyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid

C20H24N2O4 — CID 71282013

IUPAC5-cyclohexyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCN(C)c1ccc(-c2[nH]c(=O)c(C(=O)O)c(O)c2C2CCCCC2)cc1
InChIInChI=1S/C20H24N2O4/c1-22(2)14-10-8-13(9-11-14)17-15(12-6-4-3-5-7-12)18(23)16(20(25)26)19(24)21-17/h8-12H,3-7H2,1-2H3,(H,25,26)(H2,21,23,24)
InChIKeyWFCSYSDYBYDPQV-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.56
Rot. Bonds4

About 5-cyclohexyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid

5-cyclohexyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71282013) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 5-cyclohexyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclohexyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71282013
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name5-cyclohexyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCN(C)c1ccc(-c2[nH]c(=O)c(C(=O)O)c(O)c2C2CCCCC2)cc1
InChIInChI=1S/C20H24N2O4/c1-22(2)14-10-8-13(9-11-14)17-15(12-6-4-3-5-7-12)18(23)16(20(25)26)19(24)21-17/h8-12H,3-7H2,1-2H3,(H,25,26)(H2,21,23,24)
InChIKeyWFCSYSDYBYDPQV-UHFFFAOYSA-N
XLogP3.56
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclohexyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (CID 71282013) is 5-cyclohexyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclohexyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclohexyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is CN(C)c1ccc(-c2[nH]c(=O)c(C(=O)O)c(O)c2C2CCCCC2)cc1.
What is the InChIKey of 5-cyclohexyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is WFCSYSDYBYDPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-22(2)14-10-8-13(9-11-14)17-15(12-6-4-3-5-7-12)18(23)16(20(25)26)19(24)21-17/h8-12H,3-7H2,1-2H3,(H,25,26)(H2,21,23,24).
What are the key properties of 5-cyclohexyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
5-cyclohexyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 356.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71282013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).