4-bromo-5-(3-oxopropylamino)furo[2,3-c]pyridine-2-carbonitrile

C11H8BrN3O2 — CID 172599207

IUPAC4-bromo-5-(3-oxopropylamino)furo[2,3-c]pyridine-2-carbonitrile
SMILESN#Cc1cc2c(Br)c(NCCC=O)ncc2o1
InChIInChI=1S/C11H8BrN3O2/c12-10-8-4-7(5-13)17-9(8)6-15-11(10)14-2-1-3-16/h3-4,6H,1-2H2,(H,14,15)
InChIKeyMVIHHBMFSVTKSX-UHFFFAOYSA-N
MW294.11 g/mol
LogP2.46
Rot. Bonds4

About 4-bromo-5-(3-oxopropylamino)furo[2,3-c]pyridine-2-carbonitrile

4-bromo-5-(3-oxopropylamino)furo[2,3-c]pyridine-2-carbonitrile (PubChem CID 172599207) has the molecular formula C11H8BrN3O2 and a molecular weight of 294.11 g/mol. Its IUPAC name is 4-bromo-5-(3-oxopropylamino)furo[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-bromo-5-(3-oxopropylamino)furo[2,3-c]pyridine-2-carbonitrile
PubChem CID172599207
Molecular FormulaC11H8BrN3O2
Molecular Weight294.11 g/mol
Exact Mass292.98
IUPAC Name4-bromo-5-(3-oxopropylamino)furo[2,3-c]pyridine-2-carbonitrile
SMILESN#Cc1cc2c(Br)c(NCCC=O)ncc2o1
InChIInChI=1S/C11H8BrN3O2/c12-10-8-4-7(5-13)17-9(8)6-15-11(10)14-2-1-3-16/h3-4,6H,1-2H2,(H,14,15)
InChIKeyMVIHHBMFSVTKSX-UHFFFAOYSA-N
XLogP2.46
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-[[(2R)-2,3-dihydroxypropyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599555
4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile
CID 172599300
4-bromo-5-[[1-(oxetan-3-yl)azetidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598885
4-bromo-5-[(4-thiomorpholin-4-ylcyclohexyl)amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598703
4-bromo-5-[(1,3-dimethylpyrrolidin-3-yl)amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598413
4-bromo-5-[[4-[[(3S)-oxolan-3-yl]amino]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598200
4-bromo-5-[[4-(2-oxo-8-azabicyclo[3.2.1]octan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599542
7-bromofuro[2,3-c]quinoline-2-carbonitrile
CID 172599368
4-bromo-5-[[4-(3-hydroxyazetidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599197
4-bromo-5-[[4-(3,4-difluoropyrrolidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599696
(2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide
CID 172598787
4-bromo-5-[[4-(4-hydroxypiperidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598482

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(3-oxopropylamino)furo[2,3-c]pyridine-2-carbonitrile?
The IUPAC name of 4-bromo-5-(3-oxopropylamino)furo[2,3-c]pyridine-2-carbonitrile (CID 172599207) is 4-bromo-5-(3-oxopropylamino)furo[2,3-c]pyridine-2-carbonitrile.
What is the SMILES notation for 4-bromo-5-(3-oxopropylamino)furo[2,3-c]pyridine-2-carbonitrile?
The canonical SMILES for 4-bromo-5-(3-oxopropylamino)furo[2,3-c]pyridine-2-carbonitrile is N#Cc1cc2c(Br)c(NCCC=O)ncc2o1.
What is the InChIKey of 4-bromo-5-(3-oxopropylamino)furo[2,3-c]pyridine-2-carbonitrile?
The InChIKey is MVIHHBMFSVTKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O2/c12-10-8-4-7(5-13)17-9(8)6-15-11(10)14-2-1-3-16/h3-4,6H,1-2H2,(H,14,15).
What are the key properties of 4-bromo-5-(3-oxopropylamino)furo[2,3-c]pyridine-2-carbonitrile?
4-bromo-5-(3-oxopropylamino)furo[2,3-c]pyridine-2-carbonitrile has a molecular weight of 294.11 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(3-oxopropylamino)furo[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 172599207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).