2-(methylamino)ethyl pyridine-2-carboxylate

C9H12N2O2 — CID 23103066

IUPAC2-(methylamino)ethyl pyridine-2-carboxylate
SMILESCNCCOC(=O)c1ccccn1
InChIInChI=1S/C9H12N2O2/c1-10-6-7-13-9(12)8-4-2-3-5-11-8/h2-5,10H,6-7H2,1H3
InChIKeyAPWPLTNJNJFRKM-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.46
Rot. Bonds4

About 2-(methylamino)ethyl pyridine-2-carboxylate

2-(methylamino)ethyl pyridine-2-carboxylate (PubChem CID 23103066) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(methylamino)ethyl pyridine-2-carboxylate.

Molecular Properties

Compound Name2-(methylamino)ethyl pyridine-2-carboxylate
PubChem CID23103066
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(methylamino)ethyl pyridine-2-carboxylate
SMILESCNCCOC(=O)c1ccccn1
InChIInChI=1S/C9H12N2O2/c1-10-6-7-13-9(12)8-4-2-3-5-11-8/h2-5,10H,6-7H2,1H3
InChIKeyAPWPLTNJNJFRKM-UHFFFAOYSA-N
XLogP0.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(methylamino)ethyl 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

2-acetamidoethyl pyridine-2-carboxylate
CID 141131382
ethyl pyridine-2-carboxylate
CID 17307
2-trimethoxysilylethyl pyridine-2-carboxylate
CID 68835998
2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate
CID 71973059
2-(methylamino)ethyl benzoate
CID 158644589
(2-hydroxyethylamino)methyl pyridine-2-carboxylate
CID 142799656
4-(methylamino)-1-pyridin-2-ylbutan-1-one
CID 83816768
3-triethoxysilylpropyl pyridine-2-carboxylate
CID 68836141
3-dimethoxysilylbutyl pyridine-2-carboxylate
CID 154185304
1-aminoethyl pyridine-2-carboxylate
CID 141264689
4-(1,3-dioxoisoindol-2-yl)butyl pyridine-2-carboxylate
CID 18074643
(4-amino-2,3-dimethyl-4-oxobutyl) pyridine-2-carboxylate
CID 67908094

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethyl pyridine-2-carboxylate?
The IUPAC name of 2-(methylamino)ethyl pyridine-2-carboxylate (CID 23103066) is 2-(methylamino)ethyl pyridine-2-carboxylate.
What is the SMILES notation for 2-(methylamino)ethyl pyridine-2-carboxylate?
The canonical SMILES for 2-(methylamino)ethyl pyridine-2-carboxylate is CNCCOC(=O)c1ccccn1.
What is the InChIKey of 2-(methylamino)ethyl pyridine-2-carboxylate?
The InChIKey is APWPLTNJNJFRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-10-6-7-13-9(12)8-4-2-3-5-11-8/h2-5,10H,6-7H2,1H3.
What are the key properties of 2-(methylamino)ethyl pyridine-2-carboxylate?
2-(methylamino)ethyl pyridine-2-carboxylate has a molecular weight of 180.21 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethyl pyridine-2-carboxylate is sourced from PubChem (CID 23103066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).