N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide

C19H24N2O4 — CID 77079281

IUPACN-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCCN(CC(O)c1cccc(O)c1)C(=O)c1cc(C)c(C)n(C)c1=O
InChIInChI=1S/C19H24N2O4/c1-5-21(11-17(23)14-7-6-8-15(22)10-14)19(25)16-9-12(2)13(3)20(4)18(16)24/h6-10,17,22-23H,5,11H2,1-4H3
InChIKeyWPGIDCGDLWZIPR-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.90
Rot. Bonds5

About N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide

N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide (PubChem CID 77079281) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide
PubChem CID77079281
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCCN(CC(O)c1cccc(O)c1)C(=O)c1cc(C)c(C)n(C)c1=O
InChIInChI=1S/C19H24N2O4/c1-5-21(11-17(23)14-7-6-8-15(22)10-14)19(25)16-9-12(2)13(3)20(4)18(16)24/h6-10,17,22-23H,5,11H2,1-4H3
InChIKeyWPGIDCGDLWZIPR-UHFFFAOYSA-N
XLogP1.90
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide (CID 77079281) is N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide is CCN(CC(O)c1cccc(O)c1)C(=O)c1cc(C)c(C)n(C)c1=O.
What is the InChIKey of N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is WPGIDCGDLWZIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-5-21(11-17(23)14-7-6-8-15(22)10-14)19(25)16-9-12(2)13(3)20(4)18(16)24/h6-10,17,22-23H,5,11H2,1-4H3.
What are the key properties of N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide?
N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 77079281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).