N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-phenylmethoxyacetamide

C17H20N2O3 — CID 122558806

IUPACN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-phenylmethoxyacetamide
SMILESCc1c[nH]c(CNC(=O)COCc2ccccc2)c(C)c1=O
InChIInChI=1S/C17H20N2O3/c1-12-8-18-15(13(2)17(12)21)9-19-16(20)11-22-10-14-6-4-3-5-7-14/h3-8H,9-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyMMZGNKCDNOEWOM-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.82
Rot. Bonds6

About N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-phenylmethoxyacetamide

N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-phenylmethoxyacetamide (PubChem CID 122558806) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-phenylmethoxyacetamide
PubChem CID122558806
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-phenylmethoxyacetamide
SMILESCc1c[nH]c(CNC(=O)COCc2ccccc2)c(C)c1=O
InChIInChI=1S/C17H20N2O3/c1-12-8-18-15(13(2)17(12)21)9-19-16(20)11-22-10-14-6-4-3-5-7-14/h3-8H,9-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyMMZGNKCDNOEWOM-UHFFFAOYSA-N
XLogP1.82
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-phenylmethoxyacetamide (CID 122558806) is N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-phenylmethoxyacetamide is Cc1c[nH]c(CNC(=O)COCc2ccccc2)c(C)c1=O.
What is the InChIKey of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-phenylmethoxyacetamide?
The InChIKey is MMZGNKCDNOEWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-8-18-15(13(2)17(12)21)9-19-16(20)11-22-10-14-6-4-3-5-7-14/h3-8H,9-11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-phenylmethoxyacetamide?
N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-phenylmethoxyacetamide has a molecular weight of 300.36 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 122558806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).