6-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carbonitrile

C17H18N4O — CID 84600657

IUPAC6-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cccc(OC2CCN(c3ccc(C#N)cn3)CC2)n1
InChIInChI=1S/C17H18N4O/c1-13-3-2-4-17(20-13)22-15-7-9-21(10-8-15)16-6-5-14(11-18)12-19-16/h2-6,12,15H,7-10H2,1H3
InChIKeyCWOUYPSFVHGXGR-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.70
Rot. Bonds3

About 6-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carbonitrile

6-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 84600657) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID84600657
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name6-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cccc(OC2CCN(c3ccc(C#N)cn3)CC2)n1
InChIInChI=1S/C17H18N4O/c1-13-3-2-4-17(20-13)22-15-7-9-21(10-8-15)16-6-5-14(11-18)12-19-16/h2-6,12,15H,7-10H2,1H3
InChIKeyCWOUYPSFVHGXGR-UHFFFAOYSA-N
XLogP2.70
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carbonitrile (CID 84600657) is 6-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carbonitrile is Cc1cccc(OC2CCN(c3ccc(C#N)cn3)CC2)n1.
What is the InChIKey of 6-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is CWOUYPSFVHGXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-13-3-2-4-17(20-13)22-15-7-9-21(10-8-15)16-6-5-14(11-18)12-19-16/h2-6,12,15H,7-10H2,1H3.
What are the key properties of 6-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 84600657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).