2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

C17H23N3O — CID 2959486

IUPAC2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESCCCC1Cc2nc(N3CCCCC3)c(C#N)cc2CO1
InChIInChI=1S/C17H23N3O/c1-2-6-15-10-16-14(12-21-15)9-13(11-18)17(19-16)20-7-4-3-5-8-20/h9,15H,2-8,10,12H2,1H3
InChIKeyKRNAFDDKNWHFKO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.18
Rot. Bonds3

About 2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 2959486) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID2959486
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESCCCC1Cc2nc(N3CCCCC3)c(C#N)cc2CO1
InChIInChI=1S/C17H23N3O/c1-2-6-15-10-16-14(12-21-15)9-13(11-18)17(19-16)20-7-4-3-5-8-20/h9,15H,2-8,10,12H2,1H3
InChIKeyKRNAFDDKNWHFKO-UHFFFAOYSA-N
XLogP3.18
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (CID 2959486) is 2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is CCCC1Cc2nc(N3CCCCC3)c(C#N)cc2CO1.
What is the InChIKey of 2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is KRNAFDDKNWHFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-6-15-10-16-14(12-21-15)9-13(11-18)17(19-16)20-7-4-3-5-8-20/h9,15H,2-8,10,12H2,1H3.
What are the key properties of 2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 285.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 2959486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).