ethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate

C12H18N2O3 — CID 106660444

IUPACethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate
SMILESCCOC(=O)CCNc1cc(C)ncc1OC
InChIInChI=1S/C12H18N2O3/c1-4-17-12(15)5-6-13-10-7-9(2)14-8-11(10)16-3/h7-8H,4-6H2,1-3H3,(H,13,14)
InChIKeyRKRXGRHCNHXMSJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.76
Rot. Bonds6

About ethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate

ethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate (PubChem CID 106660444) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate
PubChem CID106660444
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nameethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate
SMILESCCOC(=O)CCNc1cc(C)ncc1OC
InChIInChI=1S/C12H18N2O3/c1-4-17-12(15)5-6-13-10-7-9(2)14-8-11(10)16-3/h7-8H,4-6H2,1-3H3,(H,13,14)
InChIKeyRKRXGRHCNHXMSJ-UHFFFAOYSA-N
XLogP1.76
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate 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

3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanamide
CID 106660291
ethyl 3-(5-bromo-2-methoxyanilino)propanoate
CID 54968019
ethyl 3-(2,4-dimethoxyanilino)propanoate
CID 23052898
ethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate
CID 5314331
N-(5-methoxy-2-methyl-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 106660217
N'-ethyl-N-(5-methoxy-2-methyl-4-pyridinyl)-N'-methylethane-1,2-diamine
CID 106660479
ethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate
CID 114600536
N-(5-methoxy-2-methyl-4-pyridinyl)acetamide
CID 59938106
5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine
CID 106660453
ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate
CID 80653355
ethyl 3-(2-fluoro-5-methoxy-4-nitroanilino)propanoate
CID 107260005
5-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
CID 106660544

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate?
The IUPAC name of ethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate (CID 106660444) is ethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate is CCOC(=O)CCNc1cc(C)ncc1OC.
What is the InChIKey of ethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate?
The InChIKey is RKRXGRHCNHXMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-17-12(15)5-6-13-10-7-9(2)14-8-11(10)16-3/h7-8H,4-6H2,1-3H3,(H,13,14).
What are the key properties of ethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate?
ethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate has a molecular weight of 238.29 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate is sourced from PubChem (CID 106660444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).