ethyl 3-(naphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate

C20H16N2O3 — CID 53319338

IUPACethyl 3-(naphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2cnccc2c1Nc1ccc2ccccc2c1
InChIInChI=1S/C20H16N2O3/c1-2-24-20(23)19-18(16-9-10-21-12-17(16)25-19)22-15-8-7-13-5-3-4-6-14(13)11-15/h3-12,22H,2H2,1H3
InChIKeyJJGRNGIGDJDDHN-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.90
Rot. Bonds4

About ethyl 3-(naphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate

ethyl 3-(naphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate (PubChem CID 53319338) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 3-(naphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(naphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate
PubChem CID53319338
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Nameethyl 3-(naphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2cnccc2c1Nc1ccc2ccccc2c1
InChIInChI=1S/C20H16N2O3/c1-2-24-20(23)19-18(16-9-10-21-12-17(16)25-19)22-15-8-7-13-5-3-4-6-14(13)11-15/h3-12,22H,2H2,1H3
InChIKeyJJGRNGIGDJDDHN-UHFFFAOYSA-N
XLogP4.90
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(naphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(naphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate (CID 53319338) is ethyl 3-(naphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(naphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(naphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate is CCOC(=O)c1oc2cnccc2c1Nc1ccc2ccccc2c1.
What is the InChIKey of ethyl 3-(naphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate?
The InChIKey is JJGRNGIGDJDDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-2-24-20(23)19-18(16-9-10-21-12-17(16)25-19)22-15-8-7-13-5-3-4-6-14(13)11-15/h3-12,22H,2H2,1H3.
What are the key properties of ethyl 3-(naphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate?
ethyl 3-(naphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(naphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 53319338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).