2-(N-methylanilino)ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate

C16H18N2O3 — CID 71982424

IUPAC2-(N-methylanilino)ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCc1ccc(C(=O)OCCN(C)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C16H18N2O3/c1-12-8-9-14(15(19)17-12)16(20)21-11-10-18(2)13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3,(H,17,19)
InChIKeyASXGBJSVCADYCD-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.98
Rot. Bonds5

About 2-(N-methylanilino)ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate

2-(N-methylanilino)ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 71982424) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(N-methylanilino)ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name2-(N-methylanilino)ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate
PubChem CID71982424
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(N-methylanilino)ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCc1ccc(C(=O)OCCN(C)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C16H18N2O3/c1-12-8-9-14(15(19)17-12)16(20)21-11-10-18(2)13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3,(H,17,19)
InChIKeyASXGBJSVCADYCD-UHFFFAOYSA-N
XLogP1.98
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(N-methylanilino)ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate 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 2-(N-methylanilino)ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of 2-(N-methylanilino)ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate (CID 71982424) is 2-(N-methylanilino)ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for 2-(N-methylanilino)ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for 2-(N-methylanilino)ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate is Cc1ccc(C(=O)OCCN(C)c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2-(N-methylanilino)ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is ASXGBJSVCADYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12-8-9-14(15(19)17-12)16(20)21-11-10-18(2)13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3,(H,17,19).
What are the key properties of 2-(N-methylanilino)ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate?
2-(N-methylanilino)ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 71982424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).