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

C17H20BrN5O2 — CID 172598881

IUPAC4-bromo-5-[[1-[2-(dimethylamino)acetyl]piperidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile
SMILESCN(C)CC(=O)N1CCCC(Nc2ncc3oc(C#N)cc3c2Br)C1
InChIInChI=1S/C17H20BrN5O2/c1-22(2)10-15(24)23-5-3-4-11(9-23)21-17-16(18)13-6-12(7-19)25-14(13)8-20-17/h6,8,11H,3-5,9-10H2,1-2H3,(H,20,21)
InChIKeyDCDLILNPGABUSS-UHFFFAOYSA-N
MW406.28 g/mol
LogP2.43
Rot. Bonds4

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

4-bromo-5-[[1-[2-(dimethylamino)acetyl]piperidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile (PubChem CID 172598881) has the molecular formula C17H20BrN5O2 and a molecular weight of 406.28 g/mol. Its IUPAC name is 4-bromo-5-[[1-[2-(dimethylamino)acetyl]piperidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-bromo-5-[[1-[2-(dimethylamino)acetyl]piperidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile
PubChem CID172598881
Molecular FormulaC17H20BrN5O2
Molecular Weight406.28 g/mol
Exact Mass405.08
IUPAC Name4-bromo-5-[[1-[2-(dimethylamino)acetyl]piperidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile
SMILESCN(C)CC(=O)N1CCCC(Nc2ncc3oc(C#N)cc3c2Br)C1
InChIInChI=1S/C17H20BrN5O2/c1-22(2)10-15(24)23-5-3-4-11(9-23)21-17-16(18)13-6-12(7-19)25-14(13)8-20-17/h6,8,11H,3-5,9-10H2,1-2H3,(H,20,21)
InChIKeyDCDLILNPGABUSS-UHFFFAOYSA-N
XLogP2.43
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile
CID 172599300
1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]piperidine-3-carboxamide
CID 172598249
4-bromo-5-[[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598447
(2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide
CID 172598787
4-bromo-5-[[1-(oxetan-3-yl)pyrrolidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598454
N-[1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]azetidin-3-yl]-N-ethylacetamide;ethane
CID 172598133
4-bromo-5-[[4-(3-hydroxyazetidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599197
4-bromo-5-[[4-(4-hydroxypiperidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598482
4-bromo-5-[[4-[3-(1-hydroxyethyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598302
4-bromo-5-[[4-(3,4-difluoropyrrolidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599696
4-bromo-5-[[4-[2-(2-hydroxy-2-methylpropyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599379
4-bromo-5-[(4-thiomorpholin-4-ylcyclohexyl)amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598703

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[[1-[2-(dimethylamino)acetyl]piperidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile?
The IUPAC name of 4-bromo-5-[[1-[2-(dimethylamino)acetyl]piperidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile (CID 172598881) is 4-bromo-5-[[1-[2-(dimethylamino)acetyl]piperidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile.
What is the SMILES notation for 4-bromo-5-[[1-[2-(dimethylamino)acetyl]piperidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile?
The canonical SMILES for 4-bromo-5-[[1-[2-(dimethylamino)acetyl]piperidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile is CN(C)CC(=O)N1CCCC(Nc2ncc3oc(C#N)cc3c2Br)C1.
What is the InChIKey of 4-bromo-5-[[1-[2-(dimethylamino)acetyl]piperidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile?
The InChIKey is DCDLILNPGABUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN5O2/c1-22(2)10-15(24)23-5-3-4-11(9-23)21-17-16(18)13-6-12(7-19)25-14(13)8-20-17/h6,8,11H,3-5,9-10H2,1-2H3,(H,20,21).
What are the key properties of 4-bromo-5-[[1-[2-(dimethylamino)acetyl]piperidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile?
4-bromo-5-[[1-[2-(dimethylamino)acetyl]piperidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile has a molecular weight of 406.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[[1-[2-(dimethylamino)acetyl]piperidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 172598881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).