ethyl 5-(4-methylanilino)pyridine-2-carboxylate

C15H16N2O2 — CID 155674301

IUPACethyl 5-(4-methylanilino)pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(Nc2ccc(C)cc2)cn1
InChIInChI=1S/C15H16N2O2/c1-3-19-15(18)14-9-8-13(10-16-14)17-12-6-4-11(2)5-7-12/h4-10,17H,3H2,1-2H3
InChIKeyNITVDESUFYYMKW-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.31
Rot. Bonds4

About ethyl 5-(4-methylanilino)pyridine-2-carboxylate

ethyl 5-(4-methylanilino)pyridine-2-carboxylate (PubChem CID 155674301) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 5-(4-methylanilino)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methylanilino)pyridine-2-carboxylate
PubChem CID155674301
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Nameethyl 5-(4-methylanilino)pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(Nc2ccc(C)cc2)cn1
InChIInChI=1S/C15H16N2O2/c1-3-19-15(18)14-9-8-13(10-16-14)17-12-6-4-11(2)5-7-12/h4-10,17H,3H2,1-2H3
InChIKeyNITVDESUFYYMKW-UHFFFAOYSA-N
XLogP3.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 5-(4-methylanilino)pyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109179210
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675
N-(2-methoxyethyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109183906
ethyl 4-[[6-(azepane-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109196834
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
ethyl N-[2-(4-methylanilino)pyrimidin-5-yl]carbamate
CID 110178694
ethyl 4-[[6-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109185434
ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109200797
ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate
CID 158456566
5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180319
N-[5-(4-methylanilino)-2-pyridinyl]propanamide
CID 113031521
ethyl 5-methylsulfanylpyridine-2-carboxylate
CID 58540699

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methylanilino)pyridine-2-carboxylate?
The IUPAC name of ethyl 5-(4-methylanilino)pyridine-2-carboxylate (CID 155674301) is ethyl 5-(4-methylanilino)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-(4-methylanilino)pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-(4-methylanilino)pyridine-2-carboxylate is CCOC(=O)c1ccc(Nc2ccc(C)cc2)cn1.
What is the InChIKey of ethyl 5-(4-methylanilino)pyridine-2-carboxylate?
The InChIKey is NITVDESUFYYMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-3-19-15(18)14-9-8-13(10-16-14)17-12-6-4-11(2)5-7-12/h4-10,17H,3H2,1-2H3.
What are the key properties of ethyl 5-(4-methylanilino)pyridine-2-carboxylate?
ethyl 5-(4-methylanilino)pyridine-2-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methylanilino)pyridine-2-carboxylate is sourced from PubChem (CID 155674301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).