N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide

C18H22N2O4 — CID 90536373

IUPACN-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(CNC(=O)c2cccn(C)c2=O)OCCO)cc1
InChIInChI=1S/C18H22N2O4/c1-13-5-7-14(8-6-13)16(24-11-10-21)12-19-17(22)15-4-3-9-20(2)18(15)23/h3-9,16,21H,10-12H2,1-2H3,(H,19,22)
InChIKeyWUCOQVWAZLXDJV-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.17
Rot. Bonds7

About N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 90536373) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID90536373
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(CNC(=O)c2cccn(C)c2=O)OCCO)cc1
InChIInChI=1S/C18H22N2O4/c1-13-5-7-14(8-6-13)16(24-11-10-21)12-19-17(22)15-4-3-9-20(2)18(15)23/h3-9,16,21H,10-12H2,1-2H3,(H,19,22)
InChIKeyWUCOQVWAZLXDJV-UHFFFAOYSA-N
XLogP1.17
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 90536373) is N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide is Cc1ccc(C(CNC(=O)c2cccn(C)c2=O)OCCO)cc1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is WUCOQVWAZLXDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-13-5-7-14(8-6-13)16(24-11-10-21)12-19-17(22)15-4-3-9-20(2)18(15)23/h3-9,16,21H,10-12H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 90536373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).