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

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

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Related Compounds

4-(4-Fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile
CID 154644627
4-Tert-butyl-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile
CID 154644631
4-(4-Fluorophenyl)-2-prop-2-enoxy-6-pyridin-2-ylpyridine-3-carbonitrile
CID 154644717
6-Methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]pyridin-3-amine
CID 90456019
(2R)-2-[[3-fluoro-6-(6-propan-2-yloxy-3-pyridinyl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312597
US11026923, Example 126
CID 138746511
2-(1-(4-ethoxybenzyl)-4-{[1-(3-pyridinyl)-1H-pyrrol-2-yl]methyl}-2-piperazinyl)ethanol
CID 16188328
US11026923, Example 197
CID 138746818
US11491140, Example 41
CID 138746917
(3S,4R)-3-benzyl-1-[(6-ethoxy-3-pyridinyl)methyl]-4-methylpiperidin-4-ol
CID 56740874
4-[(3R*,4R*)-3-hydroxy-4-(4-methyl-1-piperazinyl)-1-piperidinyl]-2-methoxynicotinonitrile
CID 56864578
4-[(3'R*,4'R*)-3',4-dihydroxy-1,4'-bipiperidin-1'-yl]-2-methoxynicotinonitrile
CID 56873549

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).