3-[1-(3-methyl-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxybenzonitrile

C20H19N3O3 — CID 135154616

IUPAC3-[1-(3-methyl-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxybenzonitrile
SMILESCc1cc2c(nc1N1CCC(Oc3cccc(C#N)c3)CC1)COC2=O
InChIInChI=1S/C20H19N3O3/c1-13-9-17-18(12-25-20(17)24)22-19(13)23-7-5-15(6-8-23)26-16-4-2-3-14(10-16)11-21/h2-4,9-10,15H,5-8,12H2,1H3
InChIKeyCDISHVUEGKRDNG-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.98
Rot. Bonds3

About 3-[1-(3-methyl-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxybenzonitrile

3-[1-(3-methyl-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxybenzonitrile (PubChem CID 135154616) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-[1-(3-methyl-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name3-[1-(3-methyl-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxybenzonitrile
PubChem CID135154616
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-[1-(3-methyl-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxybenzonitrile
SMILESCc1cc2c(nc1N1CCC(Oc3cccc(C#N)c3)CC1)COC2=O
InChIInChI=1S/C20H19N3O3/c1-13-9-17-18(12-25-20(17)24)22-19(13)23-7-5-15(6-8-23)26-16-4-2-3-14(10-16)11-21/h2-4,9-10,15H,5-8,12H2,1H3
InChIKeyCDISHVUEGKRDNG-UHFFFAOYSA-N
XLogP2.98
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methyl-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxybenzonitrile?
The IUPAC name of 3-[1-(3-methyl-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxybenzonitrile (CID 135154616) is 3-[1-(3-methyl-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 3-[1-(3-methyl-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxybenzonitrile?
The canonical SMILES for 3-[1-(3-methyl-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxybenzonitrile is Cc1cc2c(nc1N1CCC(Oc3cccc(C#N)c3)CC1)COC2=O.
What is the InChIKey of 3-[1-(3-methyl-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxybenzonitrile?
The InChIKey is CDISHVUEGKRDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-9-17-18(12-25-20(17)24)22-19(13)23-7-5-15(6-8-23)26-16-4-2-3-14(10-16)11-21/h2-4,9-10,15H,5-8,12H2,1H3.
What are the key properties of 3-[1-(3-methyl-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxybenzonitrile?
3-[1-(3-methyl-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxybenzonitrile has a molecular weight of 349.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methyl-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 135154616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).