ethyl N-[2-(phenylcarbamoyl)furo[2,3-b]pyridin-3-yl]methanimidate

C17H15N3O3 — CID 155814606

IUPACethyl N-[2-(phenylcarbamoyl)furo[2,3-b]pyridin-3-yl]methanimidate
SMILESCCO/C=N/c1c(C(=O)Nc2ccccc2)oc2ncccc12
InChIInChI=1S/C17H15N3O3/c1-2-22-11-19-14-13-9-6-10-18-17(13)23-15(14)16(21)20-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,20,21)/b19-11+
InChIKeyFFBNREYJQWQKFT-YBFXNURJSA-N
MW309.33 g/mol
LogP3.78
Rot. Bonds5

About ethyl N-[2-(phenylcarbamoyl)furo[2,3-b]pyridin-3-yl]methanimidate

ethyl N-[2-(phenylcarbamoyl)furo[2,3-b]pyridin-3-yl]methanimidate (PubChem CID 155814606) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is ethyl N-[2-(phenylcarbamoyl)furo[2,3-b]pyridin-3-yl]methanimidate.

Molecular Properties

Compound Nameethyl N-[2-(phenylcarbamoyl)furo[2,3-b]pyridin-3-yl]methanimidate
PubChem CID155814606
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Nameethyl N-[2-(phenylcarbamoyl)furo[2,3-b]pyridin-3-yl]methanimidate
SMILESCCO/C=N/c1c(C(=O)Nc2ccccc2)oc2ncccc12
InChIInChI=1S/C17H15N3O3/c1-2-22-11-19-14-13-9-6-10-18-17(13)23-15(14)16(21)20-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,20,21)/b19-11+
InChIKeyFFBNREYJQWQKFT-YBFXNURJSA-N
XLogP3.78
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(phenylcarbamoyl)furo[2,3-b]pyridin-3-yl]methanimidate?
The IUPAC name of ethyl N-[2-(phenylcarbamoyl)furo[2,3-b]pyridin-3-yl]methanimidate (CID 155814606) is ethyl N-[2-(phenylcarbamoyl)furo[2,3-b]pyridin-3-yl]methanimidate.
What is the SMILES notation for ethyl N-[2-(phenylcarbamoyl)furo[2,3-b]pyridin-3-yl]methanimidate?
The canonical SMILES for ethyl N-[2-(phenylcarbamoyl)furo[2,3-b]pyridin-3-yl]methanimidate is CCO/C=N/c1c(C(=O)Nc2ccccc2)oc2ncccc12.
What is the InChIKey of ethyl N-[2-(phenylcarbamoyl)furo[2,3-b]pyridin-3-yl]methanimidate?
The InChIKey is FFBNREYJQWQKFT-YBFXNURJSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-2-22-11-19-14-13-9-6-10-18-17(13)23-15(14)16(21)20-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,20,21)/b19-11+.
What are the key properties of ethyl N-[2-(phenylcarbamoyl)furo[2,3-b]pyridin-3-yl]methanimidate?
ethyl N-[2-(phenylcarbamoyl)furo[2,3-b]pyridin-3-yl]methanimidate has a molecular weight of 309.33 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(phenylcarbamoyl)furo[2,3-b]pyridin-3-yl]methanimidate is sourced from PubChem (CID 155814606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).