ethyl 6-(butylamino)-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate

C17H24N2O3 — CID 155567197

IUPACethyl 6-(butylamino)-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate
SMILESCCCCNc1ccc2c(C(=O)OCC)c(C(C)C)oc2n1
InChIInChI=1S/C17H24N2O3/c1-5-7-10-18-13-9-8-12-14(17(20)21-6-2)15(11(3)4)22-16(12)19-13/h8-9,11H,5-7,10H2,1-4H3,(H,18,19)
InChIKeyOJSSRIGPAOGJRH-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.34
Rot. Bonds7

About ethyl 6-(butylamino)-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate

ethyl 6-(butylamino)-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate (PubChem CID 155567197) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 6-(butylamino)-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(butylamino)-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate
PubChem CID155567197
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl 6-(butylamino)-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate
SMILESCCCCNc1ccc2c(C(=O)OCC)c(C(C)C)oc2n1
InChIInChI=1S/C17H24N2O3/c1-5-7-10-18-13-9-8-12-14(17(20)21-6-2)15(11(3)4)22-16(12)19-13/h8-9,11H,5-7,10H2,1-4H3,(H,18,19)
InChIKeyOJSSRIGPAOGJRH-UHFFFAOYSA-N
XLogP4.34
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.34
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 6-(butylamino)-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(butylamino)-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate (CID 155567197) is ethyl 6-(butylamino)-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(butylamino)-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(butylamino)-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate is CCCCNc1ccc2c(C(=O)OCC)c(C(C)C)oc2n1.
What is the InChIKey of ethyl 6-(butylamino)-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate?
The InChIKey is OJSSRIGPAOGJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-5-7-10-18-13-9-8-12-14(17(20)21-6-2)15(11(3)4)22-16(12)19-13/h8-9,11H,5-7,10H2,1-4H3,(H,18,19).
What are the key properties of ethyl 6-(butylamino)-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate?
ethyl 6-(butylamino)-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(butylamino)-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 155567197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).