ethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate

C19H17N3O4 — CID 90807936

IUPACethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)CCC2N=O
InChIInChI=1S/C19H17N3O4/c1-2-25-19(23)18-17(14-7-8-20-10-16(14)26-18)21-12-4-5-13-11(9-12)3-6-15(13)22-24/h4-5,7-10,15,21H,2-3,6H2,1H3
InChIKeyOMOWQLFQUKOKPB-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.50
Rot. Bonds5

About ethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate

ethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate (PubChem CID 90807936) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is ethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate
PubChem CID90807936
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Nameethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)CCC2N=O
InChIInChI=1S/C19H17N3O4/c1-2-25-19(23)18-17(14-7-8-20-10-16(14)26-18)21-12-4-5-13-11(9-12)3-6-15(13)22-24/h4-5,7-10,15,21H,2-3,6H2,1H3
InChIKeyOMOWQLFQUKOKPB-UHFFFAOYSA-N
XLogP4.50
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate (CID 90807936) is ethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate is CCOC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)CCC2N=O.
What is the InChIKey of ethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate?
The InChIKey is OMOWQLFQUKOKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-2-25-19(23)18-17(14-7-8-20-10-16(14)26-18)21-12-4-5-13-11(9-12)3-6-15(13)22-24/h4-5,7-10,15,21H,2-3,6H2,1H3.
What are the key properties of ethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate?
ethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 90807936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).