ethyl 4-(furo[3,2-c]pyridin-4-ylamino)butanoate

C13H16N2O3 — CID 106534889

IUPACethyl 4-(furo[3,2-c]pyridin-4-ylamino)butanoate
SMILESCCOC(=O)CCCNc1nccc2occc12
InChIInChI=1S/C13H16N2O3/c1-2-17-12(16)4-3-7-14-13-10-6-9-18-11(10)5-8-15-13/h5-6,8-9H,2-4,7H2,1H3,(H,14,15)
InChIKeyDEZGGDFRSLFHPM-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.58
Rot. Bonds6

About ethyl 4-(furo[3,2-c]pyridin-4-ylamino)butanoate

ethyl 4-(furo[3,2-c]pyridin-4-ylamino)butanoate (PubChem CID 106534889) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is ethyl 4-(furo[3,2-c]pyridin-4-ylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(furo[3,2-c]pyridin-4-ylamino)butanoate
PubChem CID106534889
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Nameethyl 4-(furo[3,2-c]pyridin-4-ylamino)butanoate
SMILESCCOC(=O)CCCNc1nccc2occc12
InChIInChI=1S/C13H16N2O3/c1-2-17-12(16)4-3-7-14-13-10-6-9-18-11(10)5-8-15-13/h5-6,8-9H,2-4,7H2,1H3,(H,14,15)
InChIKeyDEZGGDFRSLFHPM-UHFFFAOYSA-N
XLogP2.58
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(furo[3,2-c]pyridin-4-ylamino)butanoate?
The IUPAC name of ethyl 4-(furo[3,2-c]pyridin-4-ylamino)butanoate (CID 106534889) is ethyl 4-(furo[3,2-c]pyridin-4-ylamino)butanoate.
What is the SMILES notation for ethyl 4-(furo[3,2-c]pyridin-4-ylamino)butanoate?
The canonical SMILES for ethyl 4-(furo[3,2-c]pyridin-4-ylamino)butanoate is CCOC(=O)CCCNc1nccc2occc12.
What is the InChIKey of ethyl 4-(furo[3,2-c]pyridin-4-ylamino)butanoate?
The InChIKey is DEZGGDFRSLFHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-17-12(16)4-3-7-14-13-10-6-9-18-11(10)5-8-15-13/h5-6,8-9H,2-4,7H2,1H3,(H,14,15).
What are the key properties of ethyl 4-(furo[3,2-c]pyridin-4-ylamino)butanoate?
ethyl 4-(furo[3,2-c]pyridin-4-ylamino)butanoate has a molecular weight of 248.28 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(furo[3,2-c]pyridin-4-ylamino)butanoate is sourced from PubChem (CID 106534889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).