ethane;methyl 2-methyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoate

C14H23NO3 — CID 144791860

IUPACethane;methyl 2-methyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoate
SMILESCC.COC(=O)C(C)CCn1ccc(C)cc1=O
InChIInChI=1S/C12H17NO3.C2H6/c1-9-4-6-13(11(14)8-9)7-5-10(2)12(15)16-3;1-2/h4,6,8,10H,5,7H2,1-3H3;1-2H3
InChIKeyQYSWFCWHNSXHOQ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.38
Rot. Bonds4

About ethane;methyl 2-methyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoate

ethane;methyl 2-methyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoate (PubChem CID 144791860) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is ethane;methyl 2-methyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoate.

Molecular Properties

Compound Nameethane;methyl 2-methyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoate
PubChem CID144791860
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nameethane;methyl 2-methyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoate
SMILESCC.COC(=O)C(C)CCn1ccc(C)cc1=O
InChIInChI=1S/C12H17NO3.C2H6/c1-9-4-6-13(11(14)8-9)7-5-10(2)12(15)16-3;1-2/h4,6,8,10H,5,7H2,1-3H3;1-2H3
InChIKeyQYSWFCWHNSXHOQ-UHFFFAOYSA-N
XLogP2.38
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;methyl 2-methyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-methyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoate?
The IUPAC name of ethane;methyl 2-methyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoate (CID 144791860) is ethane;methyl 2-methyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoate.
What is the SMILES notation for ethane;methyl 2-methyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoate?
The canonical SMILES for ethane;methyl 2-methyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoate is CC.COC(=O)C(C)CCn1ccc(C)cc1=O.
What is the InChIKey of ethane;methyl 2-methyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoate?
The InChIKey is QYSWFCWHNSXHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3.C2H6/c1-9-4-6-13(11(14)8-9)7-5-10(2)12(15)16-3;1-2/h4,6,8,10H,5,7H2,1-3H3;1-2H3.
What are the key properties of ethane;methyl 2-methyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoate?
ethane;methyl 2-methyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoate has a molecular weight of 253.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-methyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoate is sourced from PubChem (CID 144791860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).