3-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]pyridine-2-carbonitrile

C17H19N5O — CID 139023001

IUPAC3-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]pyridine-2-carbonitrile
SMILESCCc1cnc(OC2CCN(c3cccnc3C#N)CC2)nc1
InChIInChI=1S/C17H19N5O/c1-2-13-11-20-17(21-12-13)23-14-5-8-22(9-6-14)16-4-3-7-19-15(16)10-18/h3-4,7,11-12,14H,2,5-6,8-9H2,1H3
InChIKeyYKQXECPVILIGKZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.35
Rot. Bonds4

About 3-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]pyridine-2-carbonitrile

3-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 139023001) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]pyridine-2-carbonitrile
PubChem CID139023001
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]pyridine-2-carbonitrile
SMILESCCc1cnc(OC2CCN(c3cccnc3C#N)CC2)nc1
InChIInChI=1S/C17H19N5O/c1-2-13-11-20-17(21-12-13)23-14-5-8-22(9-6-14)16-4-3-7-19-15(16)10-18/h3-4,7,11-12,14H,2,5-6,8-9H2,1H3
InChIKeyYKQXECPVILIGKZ-UHFFFAOYSA-N
XLogP2.35
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]pyridine-2-carbonitrile (CID 139023001) is 3-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]pyridine-2-carbonitrile is CCc1cnc(OC2CCN(c3cccnc3C#N)CC2)nc1.
What is the InChIKey of 3-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is YKQXECPVILIGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-2-13-11-20-17(21-12-13)23-14-5-8-22(9-6-14)16-4-3-7-19-15(16)10-18/h3-4,7,11-12,14H,2,5-6,8-9H2,1H3.
What are the key properties of 3-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]pyridine-2-carbonitrile?
3-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 309.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 139023001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).