1-(2-methoxyethyl)-N-[2-(2-methylphenyl)ethyl]-6-oxopyridine-3-carboxamide

C18H22N2O3 — CID 47059590

IUPAC1-(2-methoxyethyl)-N-[2-(2-methylphenyl)ethyl]-6-oxopyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)NCCc2ccccc2C)ccc1=O
InChIInChI=1S/C18H22N2O3/c1-14-5-3-4-6-15(14)9-10-19-18(22)16-7-8-17(21)20(13-16)11-12-23-2/h3-8,13H,9-12H2,1-2H3,(H,19,22)
InChIKeyWYUOXDALILFUGO-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.78
Rot. Bonds7

About 1-(2-methoxyethyl)-N-[2-(2-methylphenyl)ethyl]-6-oxopyridine-3-carboxamide

1-(2-methoxyethyl)-N-[2-(2-methylphenyl)ethyl]-6-oxopyridine-3-carboxamide (PubChem CID 47059590) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[2-(2-methylphenyl)ethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[2-(2-methylphenyl)ethyl]-6-oxopyridine-3-carboxamide
PubChem CID47059590
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-(2-methoxyethyl)-N-[2-(2-methylphenyl)ethyl]-6-oxopyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)NCCc2ccccc2C)ccc1=O
InChIInChI=1S/C18H22N2O3/c1-14-5-3-4-6-15(14)9-10-19-18(22)16-7-8-17(21)20(13-16)11-12-23-2/h3-8,13H,9-12H2,1-2H3,(H,19,22)
InChIKeyWYUOXDALILFUGO-UHFFFAOYSA-N
XLogP1.78
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 47062519
1-(2-methoxyethyl)-6-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47062505
4-hydroxy-3-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103956274
3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837884
4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837749
1-(2-methoxyethyl)-6-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 47049078
N-[1-(2,6-difluorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 47062590
N-[2-(2-methylphenyl)ethyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 27164026
4-(acetamidomethyl)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 18195087
1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052499
N-[2-(2-methylphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51177305
N-(2-hydroxyethyl)-4-[3-(2-methylphenyl)propoxy]benzamide
CID 111974563

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[2-(2-methylphenyl)ethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[2-(2-methylphenyl)ethyl]-6-oxopyridine-3-carboxamide (CID 47059590) is 1-(2-methoxyethyl)-N-[2-(2-methylphenyl)ethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[2-(2-methylphenyl)ethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[2-(2-methylphenyl)ethyl]-6-oxopyridine-3-carboxamide is COCCn1cc(C(=O)NCCc2ccccc2C)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-[2-(2-methylphenyl)ethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is WYUOXDALILFUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-14-5-3-4-6-15(14)9-10-19-18(22)16-7-8-17(21)20(13-16)11-12-23-2/h3-8,13H,9-12H2,1-2H3,(H,19,22).
What are the key properties of 1-(2-methoxyethyl)-N-[2-(2-methylphenyl)ethyl]-6-oxopyridine-3-carboxamide?
1-(2-methoxyethyl)-N-[2-(2-methylphenyl)ethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[2-(2-methylphenyl)ethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 47059590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).