ethyl 4-[(6-methyl-2-pyridinyl)amino]butanoate

C12H18N2O2 — CID 64579139

IUPACethyl 4-[(6-methyl-2-pyridinyl)amino]butanoate
SMILESCCOC(=O)CCCNc1cccc(C)n1
InChIInChI=1S/C12H18N2O2/c1-3-16-12(15)8-5-9-13-11-7-4-6-10(2)14-11/h4,6-7H,3,5,8-9H2,1-2H3,(H,13,14)
InChIKeyJEDGVUKHTLNZJZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.15
Rot. Bonds6

About ethyl 4-[(6-methyl-2-pyridinyl)amino]butanoate

ethyl 4-[(6-methyl-2-pyridinyl)amino]butanoate (PubChem CID 64579139) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is ethyl 4-[(6-methyl-2-pyridinyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(6-methyl-2-pyridinyl)amino]butanoate
PubChem CID64579139
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nameethyl 4-[(6-methyl-2-pyridinyl)amino]butanoate
SMILESCCOC(=O)CCCNc1cccc(C)n1
InChIInChI=1S/C12H18N2O2/c1-3-16-12(15)8-5-9-13-11-7-4-6-10(2)14-11/h4,6-7H,3,5,8-9H2,1-2H3,(H,13,14)
InChIKeyJEDGVUKHTLNZJZ-UHFFFAOYSA-N
XLogP2.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(3-amino-6-methyl-2-pyridinyl)amino]butanoate
CID 81132121
ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate
CID 64589745
N,N-dimethyl-3-[(6-methyl-2-pyridinyl)amino]propanamide
CID 60926392
ethyl 2-methyl-3-[(6-methyl-2-pyridinyl)amino]propanoate
CID 133483913
ethyl N-(6-methyl-2-pyridinyl)carbamate
CID 5197559
ethyl 4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butanoate
CID 80951372
ethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate
CID 80653247
N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 60876058
ethyl 4-(3-bromoanilino)butanoate
CID 67442615
ethyl 4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butanoate
CID 80946727
ethyl 4-[(6-fluoropyrimidin-4-yl)amino]butanoate
CID 115417070
ethyl 4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate
CID 136959024

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-methyl-2-pyridinyl)amino]butanoate?
The IUPAC name of ethyl 4-[(6-methyl-2-pyridinyl)amino]butanoate (CID 64579139) is ethyl 4-[(6-methyl-2-pyridinyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(6-methyl-2-pyridinyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(6-methyl-2-pyridinyl)amino]butanoate is CCOC(=O)CCCNc1cccc(C)n1.
What is the InChIKey of ethyl 4-[(6-methyl-2-pyridinyl)amino]butanoate?
The InChIKey is JEDGVUKHTLNZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-16-12(15)8-5-9-13-11-7-4-6-10(2)14-11/h4,6-7H,3,5,8-9H2,1-2H3,(H,13,14).
What are the key properties of ethyl 4-[(6-methyl-2-pyridinyl)amino]butanoate?
ethyl 4-[(6-methyl-2-pyridinyl)amino]butanoate has a molecular weight of 222.29 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-methyl-2-pyridinyl)amino]butanoate is sourced from PubChem (CID 64579139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).