4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxycyclohexyl]oxypyridine-3-carbonitrile

C23H29N5O2 — CID 71491294

IUPAC4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxycyclohexyl]oxypyridine-3-carbonitrile
SMILESCCc1cnc(N2CCC(OC3CCC(Oc4ccncc4C#N)CC3)CC2)nc1
InChIInChI=1S/C23H29N5O2/c1-2-17-14-26-23(27-15-17)28-11-8-21(9-12-28)29-19-3-5-20(6-4-19)30-22-7-10-25-16-18(22)13-24/h7,10,14-16,19-21H,2-6,8-9,11-12H2,1H3
InChIKeyBLXVHYDUCDIOOJ-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.68
Rot. Bonds6

About 4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxycyclohexyl]oxypyridine-3-carbonitrile

4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxycyclohexyl]oxypyridine-3-carbonitrile (PubChem CID 71491294) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxycyclohexyl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxycyclohexyl]oxypyridine-3-carbonitrile
PubChem CID71491294
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxycyclohexyl]oxypyridine-3-carbonitrile
SMILESCCc1cnc(N2CCC(OC3CCC(Oc4ccncc4C#N)CC3)CC2)nc1
InChIInChI=1S/C23H29N5O2/c1-2-17-14-26-23(27-15-17)28-11-8-21(9-12-28)29-19-3-5-20(6-4-19)30-22-7-10-25-16-18(22)13-24/h7,10,14-16,19-21H,2-6,8-9,11-12H2,1H3
InChIKeyBLXVHYDUCDIOOJ-UHFFFAOYSA-N
XLogP3.68
TPSA84.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxycyclohexyl]oxypyridine-3-carbonitrile?
The IUPAC name of 4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxycyclohexyl]oxypyridine-3-carbonitrile (CID 71491294) is 4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxycyclohexyl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxycyclohexyl]oxypyridine-3-carbonitrile?
The canonical SMILES for 4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxycyclohexyl]oxypyridine-3-carbonitrile is CCc1cnc(N2CCC(OC3CCC(Oc4ccncc4C#N)CC3)CC2)nc1.
What is the InChIKey of 4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxycyclohexyl]oxypyridine-3-carbonitrile?
The InChIKey is BLXVHYDUCDIOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-2-17-14-26-23(27-15-17)28-11-8-21(9-12-28)29-19-3-5-20(6-4-19)30-22-7-10-25-16-18(22)13-24/h7,10,14-16,19-21H,2-6,8-9,11-12H2,1H3.
What are the key properties of 4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxycyclohexyl]oxypyridine-3-carbonitrile?
4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxycyclohexyl]oxypyridine-3-carbonitrile has a molecular weight of 407.52 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxycyclohexyl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 71491294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).