N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide

C16H18N2O2 — CID 86979438

IUPACN-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESCCc1cccc(NC(=O)CCn2ccccc2=O)c1
InChIInChI=1S/C16H18N2O2/c1-2-13-6-5-7-14(12-13)17-15(19)9-11-18-10-4-3-8-16(18)20/h3-8,10,12H,2,9,11H2,1H3,(H,17,19)
InChIKeyHLNHFWBFIWJSCG-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.44
Rot. Bonds5

About N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide

N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 86979438) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID86979438
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESCCc1cccc(NC(=O)CCn2ccccc2=O)c1
InChIInChI=1S/C16H18N2O2/c1-2-13-6-5-7-14(12-13)17-15(19)9-11-18-10-4-3-8-16(18)20/h3-8,10,12H,2,9,11H2,1H3,(H,17,19)
InChIKeyHLNHFWBFIWJSCG-UHFFFAOYSA-N
XLogP2.44
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide (CID 86979438) is N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide is CCc1cccc(NC(=O)CCn2ccccc2=O)c1.
What is the InChIKey of N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is HLNHFWBFIWJSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-13-6-5-7-14(12-13)17-15(19)9-11-18-10-4-3-8-16(18)20/h3-8,10,12H,2,9,11H2,1H3,(H,17,19).
What are the key properties of N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide?
N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 270.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 86979438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).