4-bromo-5-[(1,3-dimethylpyrrolidin-3-yl)amino]furo[2,3-c]pyridine-2-carbonitrile

C14H15BrN4O — CID 172598413

IUPAC4-bromo-5-[(1,3-dimethylpyrrolidin-3-yl)amino]furo[2,3-c]pyridine-2-carbonitrile
SMILESCN1CCC(C)(Nc2ncc3oc(C#N)cc3c2Br)C1
InChIInChI=1S/C14H15BrN4O/c1-14(3-4-19(2)8-14)18-13-12(15)10-5-9(6-16)20-11(10)7-17-13/h5,7H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyNGMDYERQLQUXNM-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.97
Rot. Bonds2

About 4-bromo-5-[(1,3-dimethylpyrrolidin-3-yl)amino]furo[2,3-c]pyridine-2-carbonitrile

4-bromo-5-[(1,3-dimethylpyrrolidin-3-yl)amino]furo[2,3-c]pyridine-2-carbonitrile (PubChem CID 172598413) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 4-bromo-5-[(1,3-dimethylpyrrolidin-3-yl)amino]furo[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-bromo-5-[(1,3-dimethylpyrrolidin-3-yl)amino]furo[2,3-c]pyridine-2-carbonitrile
PubChem CID172598413
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name4-bromo-5-[(1,3-dimethylpyrrolidin-3-yl)amino]furo[2,3-c]pyridine-2-carbonitrile
SMILESCN1CCC(C)(Nc2ncc3oc(C#N)cc3c2Br)C1
InChIInChI=1S/C14H15BrN4O/c1-14(3-4-19(2)8-14)18-13-12(15)10-5-9(6-16)20-11(10)7-17-13/h5,7H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyNGMDYERQLQUXNM-UHFFFAOYSA-N
XLogP2.97
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598792
4-bromo-5-[(5-fluoro-1,3,3-trimethylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599336
4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile
CID 172599300
4-bromo-5-[[4-(1-oxa-7-azaspiro[3.5]nonan-7-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598395
4-bromo-5-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599108
4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;2-methylsulfinyl-2,8-diazaspiro[4.5]decane
CID 172599609
4-bromo-5-[[4-(4-hydroxypiperidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598482
4-bromo-5-[(4-thiomorpholin-4-ylcyclohexyl)amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598703
4-bromo-5-[[(1S,4S)-4-(dimethylamino)-2,2-dimethylcyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599339
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
4-bromo-5-[[1-(oxetan-3-yl)azetidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598885

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(1,3-dimethylpyrrolidin-3-yl)amino]furo[2,3-c]pyridine-2-carbonitrile?
The IUPAC name of 4-bromo-5-[(1,3-dimethylpyrrolidin-3-yl)amino]furo[2,3-c]pyridine-2-carbonitrile (CID 172598413) is 4-bromo-5-[(1,3-dimethylpyrrolidin-3-yl)amino]furo[2,3-c]pyridine-2-carbonitrile.
What is the SMILES notation for 4-bromo-5-[(1,3-dimethylpyrrolidin-3-yl)amino]furo[2,3-c]pyridine-2-carbonitrile?
The canonical SMILES for 4-bromo-5-[(1,3-dimethylpyrrolidin-3-yl)amino]furo[2,3-c]pyridine-2-carbonitrile is CN1CCC(C)(Nc2ncc3oc(C#N)cc3c2Br)C1.
What is the InChIKey of 4-bromo-5-[(1,3-dimethylpyrrolidin-3-yl)amino]furo[2,3-c]pyridine-2-carbonitrile?
The InChIKey is NGMDYERQLQUXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-14(3-4-19(2)8-14)18-13-12(15)10-5-9(6-16)20-11(10)7-17-13/h5,7H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of 4-bromo-5-[(1,3-dimethylpyrrolidin-3-yl)amino]furo[2,3-c]pyridine-2-carbonitrile?
4-bromo-5-[(1,3-dimethylpyrrolidin-3-yl)amino]furo[2,3-c]pyridine-2-carbonitrile has a molecular weight of 335.21 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(1,3-dimethylpyrrolidin-3-yl)amino]furo[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 172598413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).