ethyl 3-[(4-nitrosobenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate

C17H13N3O5 — CID 89059407

IUPACethyl 3-[(4-nitrosobenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2ncccc2c1NC(=O)c1ccc(N=O)cc1
InChIInChI=1S/C17H13N3O5/c1-2-24-17(22)14-13(12-4-3-9-18-16(12)25-14)19-15(21)10-5-7-11(20-23)8-6-10/h3-9H,2H2,1H3,(H,19,21)
InChIKeyWUZNQKNNSWOBBF-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.65
Rot. Bonds5

About ethyl 3-[(4-nitrosobenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate

ethyl 3-[(4-nitrosobenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate (PubChem CID 89059407) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is ethyl 3-[(4-nitrosobenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(4-nitrosobenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate
PubChem CID89059407
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC Nameethyl 3-[(4-nitrosobenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2ncccc2c1NC(=O)c1ccc(N=O)cc1
InChIInChI=1S/C17H13N3O5/c1-2-24-17(22)14-13(12-4-3-9-18-16(12)25-14)19-15(21)10-5-7-11(20-23)8-6-10/h3-9H,2H2,1H3,(H,19,21)
InChIKeyWUZNQKNNSWOBBF-UHFFFAOYSA-N
XLogP3.65
TPSA110.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-[(4-methylbenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate
CID 21354016
ethyl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate;hydrochloride
CID 118704537
ethyl 3-[[4-[4-[(2-ethoxycarbonyl-1-benzofuran-3-yl)carbamoyl]phenoxy]benzoyl]amino]-1-benzofuran-2-carboxylate
CID 5165811
ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 16814955
ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117039
ethyl 3-(1,3-benzodioxole-5-carbonylamino)-1-benzofuran-2-carboxylate
CID 3236920
ethyl 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1-benzofuran-2-carboxylate
CID 23884551
ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 4569687
ethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate
CID 4642144
ethyl N-[6-bromo-2-(4-nitrosobenzoyl)-1-benzofuran-3-yl]carbamate
CID 90738021
ethyl 3-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]-1-benzofuran-2-carboxylate
CID 42427921
propan-2-yl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate
CID 175984372

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-nitrosobenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-[(4-nitrosobenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate (CID 89059407) is ethyl 3-[(4-nitrosobenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-[(4-nitrosobenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-[(4-nitrosobenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1oc2ncccc2c1NC(=O)c1ccc(N=O)cc1.
What is the InChIKey of ethyl 3-[(4-nitrosobenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate?
The InChIKey is WUZNQKNNSWOBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5/c1-2-24-17(22)14-13(12-4-3-9-18-16(12)25-14)19-15(21)10-5-7-11(20-23)8-6-10/h3-9H,2H2,1H3,(H,19,21).
What are the key properties of ethyl 3-[(4-nitrosobenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate?
ethyl 3-[(4-nitrosobenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate has a molecular weight of 339.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-nitrosobenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 89059407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).