6-[4-(azetidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(5-morpholin-4-yl-2-pyridinyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

C52H57N7O12 — CID 118949133

IUPAC6-[4-(azetidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(5-morpholin-4-yl-2-pyridinyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N3CCOCC3)cn2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCC2)cc1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H20N2O4.C17H19N3O5.C17H18N2O3/c1-2-12-11-15(18(22)23)17(21)19-16(12)13-3-5-14(6-4-13)20-7-9-24-10-8-20;1-2-11-14(19-16(22)13(15(11)21)17(23)24)12-4-3-10(9-18-12)20-5-7-25-8-6-20;1-2-11-10-14(17(21)22)16(20)18-15(11)12-4-6-13(7-5-12)19-8-3-9-19/h3-6,11H,2,7-10H2,1H3,(H,19,21)(H,22,23);3-4,9H,2,5-8H2,1H3,(H,23,24)(H2,19,21,22);4-7,10H,2-3,8-9H2,1H3,(H,18,20)(H,21,22)
InChIKeyVKAGLDOYXGATDS-UHFFFAOYSA-N
MW972.06 g/mol
LogP5.89
Rot. Bonds12

About 6-[4-(azetidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(5-morpholin-4-yl-2-pyridinyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

6-[4-(azetidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(5-morpholin-4-yl-2-pyridinyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 118949133) has the molecular formula C52H57N7O12 and a molecular weight of 972.06 g/mol. Its IUPAC name is 6-[4-(azetidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(5-morpholin-4-yl-2-pyridinyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(azetidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(5-morpholin-4-yl-2-pyridinyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID118949133
Molecular FormulaC52H57N7O12
Molecular Weight972.06 g/mol
Exact Mass971.41
IUPAC Name6-[4-(azetidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(5-morpholin-4-yl-2-pyridinyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N3CCOCC3)cn2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCC2)cc1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H20N2O4.C17H19N3O5.C17H18N2O3/c1-2-12-11-15(18(22)23)17(21)19-16(12)13-3-5-14(6-4-13)20-7-9-24-10-8-20;1-2-11-14(19-16(22)13(15(11)21)17(23)24)12-4-3-10(9-18-12)20-5-7-25-8-6-20;1-2-11-10-14(17(21)22)16(20)18-15(11)12-4-6-13(7-5-12)19-8-3-9-19/h3-6,11H,2,7-10H2,1H3,(H,19,21)(H,22,23);3-4,9H,2,5-8H2,1H3,(H,23,24)(H2,19,21,22);4-7,10H,2-3,8-9H2,1H3,(H,18,20)(H,21,22)
InChIKeyVKAGLDOYXGATDS-UHFFFAOYSA-N
XLogP5.89
TPSA271.78 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500972.06
LogP ≤ 55.89
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Analyze 6-[4-(azetidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(5-morpholin-4-yl-2-pyridinyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(azetidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(5-morpholin-4-yl-2-pyridinyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(azetidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(5-morpholin-4-yl-2-pyridinyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 118949133) is 6-[4-(azetidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(5-morpholin-4-yl-2-pyridinyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(azetidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(5-morpholin-4-yl-2-pyridinyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(azetidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(5-morpholin-4-yl-2-pyridinyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc(N3CCOCC3)cn2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCC2)cc1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 6-[4-(azetidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(5-morpholin-4-yl-2-pyridinyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is VKAGLDOYXGATDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4.C17H19N3O5.C17H18N2O3/c1-2-12-11-15(18(22)23)17(21)19-16(12)13-3-5-14(6-4-13)20-7-9-24-10-8-20;1-2-11-14(19-16(22)13(15(11)21)17(23)24)12-4-3-10(9-18-12)20-5-7-25-8-6-20;1-2-11-10-14(17(21)22)16(20)18-15(11)12-4-6-13(7-5-12)19-8-3-9-19/h3-6,11H,2,7-10H2,1H3,(H,19,21)(H,22,23);3-4,9H,2,5-8H2,1H3,(H,23,24)(H2,19,21,22);4-7,10H,2-3,8-9H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 6-[4-(azetidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(5-morpholin-4-yl-2-pyridinyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
6-[4-(azetidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(5-morpholin-4-yl-2-pyridinyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 972.06 g/mol, XLogP of 5.89, 12 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(azetidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(5-morpholin-4-yl-2-pyridinyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118949133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).