2-pyridin-3-ylethyl 3-amino-2-methylbenzoate

C15H16N2O2 — CID 63262806

IUPAC2-pyridin-3-ylethyl 3-amino-2-methylbenzoate
SMILESCc1c(N)cccc1C(=O)OCCc1cccnc1
InChIInChI=1S/C15H16N2O2/c1-11-13(5-2-6-14(11)16)15(18)19-9-7-12-4-3-8-17-10-12/h2-6,8,10H,7,9,16H2,1H3
InChIKeyOZOKZQRKEUQOMI-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.37
Rot. Bonds4

About 2-pyridin-3-ylethyl 3-amino-2-methylbenzoate

2-pyridin-3-ylethyl 3-amino-2-methylbenzoate (PubChem CID 63262806) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-pyridin-3-ylethyl 3-amino-2-methylbenzoate.

Molecular Properties

Compound Name2-pyridin-3-ylethyl 3-amino-2-methylbenzoate
PubChem CID63262806
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-pyridin-3-ylethyl 3-amino-2-methylbenzoate
SMILESCc1c(N)cccc1C(=O)OCCc1cccnc1
InChIInChI=1S/C15H16N2O2/c1-11-13(5-2-6-14(11)16)15(18)19-9-7-12-4-3-8-17-10-12/h2-6,8,10H,7,9,16H2,1H3
InChIKeyOZOKZQRKEUQOMI-UHFFFAOYSA-N
XLogP2.37
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-pyridin-3-ylethyl 3-amino-2-methylbenzoate 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

2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate
CID 55169977
2-methoxyethyl 3-amino-2-methylbenzoate
CID 19804739
pyridine;2-pyridin-3-ylethyl acetate
CID 23213945
2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate
CID 63263035
2-pyridin-3-ylethyl 3-amino-4-bromobenzoate
CID 63263115
2-pyridin-3-ylethyl quinoline-4-carboxylate
CID 127257423
1,3-thiazol-5-ylmethyl 3-amino-2-methylbenzoate
CID 112643721
2-pyridin-3-ylethyl N-(diaminomethylidene)carbamate
CID 142116410
2-pyrrolidin-1-ylethyl 3-amino-2-methylbenzoate
CID 107913340
ethyl 3-amino-2-[methyl(pyridin-3-yl)amino]benzoate
CID 115935077
ethyl 2-methyl-3-(pyridin-3-ylmethylcarbamothioylamino)benzoate
CID 100595830
benzyl pyridine-3-carboxylate;ethyl 2-aminobenzoate
CID 157354656

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylethyl 3-amino-2-methylbenzoate?
The IUPAC name of 2-pyridin-3-ylethyl 3-amino-2-methylbenzoate (CID 63262806) is 2-pyridin-3-ylethyl 3-amino-2-methylbenzoate.
What is the SMILES notation for 2-pyridin-3-ylethyl 3-amino-2-methylbenzoate?
The canonical SMILES for 2-pyridin-3-ylethyl 3-amino-2-methylbenzoate is Cc1c(N)cccc1C(=O)OCCc1cccnc1.
What is the InChIKey of 2-pyridin-3-ylethyl 3-amino-2-methylbenzoate?
The InChIKey is OZOKZQRKEUQOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-13(5-2-6-14(11)16)15(18)19-9-7-12-4-3-8-17-10-12/h2-6,8,10H,7,9,16H2,1H3.
What are the key properties of 2-pyridin-3-ylethyl 3-amino-2-methylbenzoate?
2-pyridin-3-ylethyl 3-amino-2-methylbenzoate has a molecular weight of 256.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylethyl 3-amino-2-methylbenzoate is sourced from PubChem (CID 63262806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).