3-[3-(2-ethyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide

C17H18N2O2 — CID 141074255

IUPAC3-[3-(2-ethyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide
SMILESCCc1cc(-c2cccc(C(=O)CC(N)=O)c2)cc(C)n1
InChIInChI=1S/C17H18N2O2/c1-3-15-9-14(7-11(2)19-15)12-5-4-6-13(8-12)16(20)10-17(18)21/h4-9H,3,10H2,1-2H3,(H2,18,21)
InChIKeyMYBHKZYAGUQNNM-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.68
Rot. Bonds5

About 3-[3-(2-ethyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide

3-[3-(2-ethyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide (PubChem CID 141074255) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[3-(2-ethyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide.

Molecular Properties

Compound Name3-[3-(2-ethyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide
PubChem CID141074255
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-[3-(2-ethyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide
SMILESCCc1cc(-c2cccc(C(=O)CC(N)=O)c2)cc(C)n1
InChIInChI=1S/C17H18N2O2/c1-3-15-9-14(7-11(2)19-15)12-5-4-6-13(8-12)16(20)10-17(18)21/h4-9H,3,10H2,1-2H3,(H2,18,21)
InChIKeyMYBHKZYAGUQNNM-UHFFFAOYSA-N
XLogP2.68
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2-cyclopropyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide
CID 141074225
tert-butyl N-[2-[[3-[3-(2-ethyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanoyl]amino]-5-methyl-4-(trifluoromethyl)phenyl]carbamate
CID 86589413
3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide
CID 141074265
3-(2,6-dimethyl-4-pyridinyl)benzoic acid
CID 22317581
1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one
CID 54912702
3-(4,6-diethylpyrimidin-2-yl)aniline
CID 55205096
methyl 3-[2-methyl-6-(oxan-2-yloxymethyl)-4-pyridinyl]benzoate
CID 69489989
[2-[[3-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-3-oxopropanoyl]amino]-5-(2-methoxyethoxy)-4-(trifluoromethyl)phenyl]carbamic acid
CID 22317702
N-[2-[(Z)-1-[3-(2,6-dimethyl-4-pyridinyl)phenyl]prop-1-enyl]iminoethyl]formamide;ethanamine
CID 154666850
[5-chloro-4-methyl-2-[[3-[3-(2-methyl-4-pyridinyl)phenyl]-3-oxopropanoyl]amino]phenyl]carbamic acid
CID 22317607
3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanoic acid
CID 22317204
1-(3-bromophenyl)-2-(6-methyl-2-pyridinyl)ethanone
CID 69350663

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide?
The IUPAC name of 3-[3-(2-ethyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide (CID 141074255) is 3-[3-(2-ethyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide.
What is the SMILES notation for 3-[3-(2-ethyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide?
The canonical SMILES for 3-[3-(2-ethyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide is CCc1cc(-c2cccc(C(=O)CC(N)=O)c2)cc(C)n1.
What is the InChIKey of 3-[3-(2-ethyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide?
The InChIKey is MYBHKZYAGUQNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-15-9-14(7-11(2)19-15)12-5-4-6-13(8-12)16(20)10-17(18)21/h4-9H,3,10H2,1-2H3,(H2,18,21).
What are the key properties of 3-[3-(2-ethyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide?
3-[3-(2-ethyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide has a molecular weight of 282.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethyl-6-methyl-4-pyridinyl)phenyl]-3-oxopropanamide is sourced from PubChem (CID 141074255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).