4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide

C17H18N2O3 — CID 35035900

IUPAC4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C17H18N2O3/c1-12-6-8-15(22-2)13(11-12)14(20)7-9-17(21)19-16-5-3-4-10-18-16/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,19,21)
InChIKeyJMLOYJXTRDYCSM-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.00
Rot. Bonds6

About 4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide

4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide (PubChem CID 35035900) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
PubChem CID35035900
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C17H18N2O3/c1-12-6-8-15(22-2)13(11-12)14(20)7-9-17(21)19-16-5-3-4-10-18-16/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,19,21)
InChIKeyJMLOYJXTRDYCSM-UHFFFAOYSA-N
XLogP3.00
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 108744443
4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35034572
N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796003
N'-(2-methoxy-5-methylphenyl)-N-pyridin-2-yloxamide
CID 44999243
4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide
CID 24538133
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
N-[4-(dimethylamino)phenyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796073
4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 108796107
1-(2-methoxy-5-methylphenyl)pentane-1,4-dione
CID 94682943
N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108795963
N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18105952
2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid
CID 108807431

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide (CID 35035900) is 4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide is COc1ccc(C)cc1C(=O)CCC(=O)Nc1ccccn1.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide?
The InChIKey is JMLOYJXTRDYCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-6-8-15(22-2)13(11-12)14(20)7-9-17(21)19-16-5-3-4-10-18-16/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,19,21).
What are the key properties of 4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide?
4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide has a molecular weight of 298.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide is sourced from PubChem (CID 35035900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).