6-(2-ethoxy-3-pyridinyl)-3-[(2R,4R)-2-ethyl-4-hydroxypiperidin-1-yl]pyridine-2-carbonitrile

C20H24N4O2 — CID 156736287

IUPAC6-(2-ethoxy-3-pyridinyl)-3-[(2R,4R)-2-ethyl-4-hydroxypiperidin-1-yl]pyridine-2-carbonitrile
SMILESCCOc1ncccc1-c1ccc(N2CC[C@@H](O)C[C@H]2CC)c(C#N)n1
InChIInChI=1S/C20H24N4O2/c1-3-14-12-15(25)9-11-24(14)19-8-7-17(23-18(19)13-21)16-6-5-10-22-20(16)26-4-2/h5-8,10,14-15,25H,3-4,9,11-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyCPQOPCZMUVNXFF-HUUCEWRRSA-N
MW352.44 g/mol
LogP3.15
Rot. Bonds5

About 6-(2-ethoxy-3-pyridinyl)-3-[(2R,4R)-2-ethyl-4-hydroxypiperidin-1-yl]pyridine-2-carbonitrile

6-(2-ethoxy-3-pyridinyl)-3-[(2R,4R)-2-ethyl-4-hydroxypiperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 156736287) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-(2-ethoxy-3-pyridinyl)-3-[(2R,4R)-2-ethyl-4-hydroxypiperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2-ethoxy-3-pyridinyl)-3-[(2R,4R)-2-ethyl-4-hydroxypiperidin-1-yl]pyridine-2-carbonitrile
PubChem CID156736287
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name6-(2-ethoxy-3-pyridinyl)-3-[(2R,4R)-2-ethyl-4-hydroxypiperidin-1-yl]pyridine-2-carbonitrile
SMILESCCOc1ncccc1-c1ccc(N2CC[C@@H](O)C[C@H]2CC)c(C#N)n1
InChIInChI=1S/C20H24N4O2/c1-3-14-12-15(25)9-11-24(14)19-8-7-17(23-18(19)13-21)16-6-5-10-22-20(16)26-4-2/h5-8,10,14-15,25H,3-4,9,11-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyCPQOPCZMUVNXFF-HUUCEWRRSA-N
XLogP3.15
TPSA82.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxy-3-pyridinyl)-3-[(2R,4R)-2-ethyl-4-hydroxypiperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-(2-ethoxy-3-pyridinyl)-3-[(2R,4R)-2-ethyl-4-hydroxypiperidin-1-yl]pyridine-2-carbonitrile (CID 156736287) is 6-(2-ethoxy-3-pyridinyl)-3-[(2R,4R)-2-ethyl-4-hydroxypiperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2-ethoxy-3-pyridinyl)-3-[(2R,4R)-2-ethyl-4-hydroxypiperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-(2-ethoxy-3-pyridinyl)-3-[(2R,4R)-2-ethyl-4-hydroxypiperidin-1-yl]pyridine-2-carbonitrile is CCOc1ncccc1-c1ccc(N2CC[C@@H](O)C[C@H]2CC)c(C#N)n1.
What is the InChIKey of 6-(2-ethoxy-3-pyridinyl)-3-[(2R,4R)-2-ethyl-4-hydroxypiperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is CPQOPCZMUVNXFF-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-14-12-15(25)9-11-24(14)19-8-7-17(23-18(19)13-21)16-6-5-10-22-20(16)26-4-2/h5-8,10,14-15,25H,3-4,9,11-12H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of 6-(2-ethoxy-3-pyridinyl)-3-[(2R,4R)-2-ethyl-4-hydroxypiperidin-1-yl]pyridine-2-carbonitrile?
6-(2-ethoxy-3-pyridinyl)-3-[(2R,4R)-2-ethyl-4-hydroxypiperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 352.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxy-3-pyridinyl)-3-[(2R,4R)-2-ethyl-4-hydroxypiperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 156736287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).