N-[3-(2-oxo-3,4-dihydropyridin-1-yl)phenyl]acetamide

C13H14N2O2 — CID 91074149

IUPACN-[3-(2-oxo-3,4-dihydropyridin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2C=CCCC2=O)c1
InChIInChI=1S/C13H14N2O2/c1-10(16)14-11-5-4-6-12(9-11)15-8-3-2-7-13(15)17/h3-6,8-9H,2,7H2,1H3,(H,14,16)
InChIKeySJZQBJFEEULCBA-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.29
Rot. Bonds2

About N-[3-(2-oxo-3,4-dihydropyridin-1-yl)phenyl]acetamide

N-[3-(2-oxo-3,4-dihydropyridin-1-yl)phenyl]acetamide (PubChem CID 91074149) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[3-(2-oxo-3,4-dihydropyridin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-oxo-3,4-dihydropyridin-1-yl)phenyl]acetamide
PubChem CID91074149
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-[3-(2-oxo-3,4-dihydropyridin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2C=CCCC2=O)c1
InChIInChI=1S/C13H14N2O2/c1-10(16)14-11-5-4-6-12(9-11)15-8-3-2-7-13(15)17/h3-6,8-9H,2,7H2,1H3,(H,14,16)
InChIKeySJZQBJFEEULCBA-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxo-3,4-dihydropyridin-1-yl)phenyl]acetamide?
The IUPAC name of N-[3-(2-oxo-3,4-dihydropyridin-1-yl)phenyl]acetamide (CID 91074149) is N-[3-(2-oxo-3,4-dihydropyridin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-oxo-3,4-dihydropyridin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(2-oxo-3,4-dihydropyridin-1-yl)phenyl]acetamide is CC(=O)Nc1cccc(N2C=CCCC2=O)c1.
What is the InChIKey of N-[3-(2-oxo-3,4-dihydropyridin-1-yl)phenyl]acetamide?
The InChIKey is SJZQBJFEEULCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10(16)14-11-5-4-6-12(9-11)15-8-3-2-7-13(15)17/h3-6,8-9H,2,7H2,1H3,(H,14,16).
What are the key properties of N-[3-(2-oxo-3,4-dihydropyridin-1-yl)phenyl]acetamide?
N-[3-(2-oxo-3,4-dihydropyridin-1-yl)phenyl]acetamide has a molecular weight of 230.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxo-3,4-dihydropyridin-1-yl)phenyl]acetamide is sourced from PubChem (CID 91074149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).