2-[[3-cyano-4-(4-methylpiperidin-1-yl)-6-[2-(2-phenylethyl)phenyl]-2-pyridinyl]oxy]acetamide

C28H30N4O2 — CID 71146304

IUPAC2-[[3-cyano-4-(4-methylpiperidin-1-yl)-6-[2-(2-phenylethyl)phenyl]-2-pyridinyl]oxy]acetamide
SMILESCC1CCN(c2cc(-c3ccccc3CCc3ccccc3)nc(OCC(N)=O)c2C#N)CC1
InChIInChI=1S/C28H30N4O2/c1-20-13-15-32(16-14-20)26-17-25(31-28(24(26)18-29)34-19-27(30)33)23-10-6-5-9-22(23)12-11-21-7-3-2-4-8-21/h2-10,17,20H,11-16,19H2,1H3,(H2,30,33)
InChIKeyQFYFNPYSHVLGEC-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.51
Rot. Bonds8

About 2-[[3-cyano-4-(4-methylpiperidin-1-yl)-6-[2-(2-phenylethyl)phenyl]-2-pyridinyl]oxy]acetamide

2-[[3-cyano-4-(4-methylpiperidin-1-yl)-6-[2-(2-phenylethyl)phenyl]-2-pyridinyl]oxy]acetamide (PubChem CID 71146304) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-[[3-cyano-4-(4-methylpiperidin-1-yl)-6-[2-(2-phenylethyl)phenyl]-2-pyridinyl]oxy]acetamide.

Molecular Properties

Compound Name2-[[3-cyano-4-(4-methylpiperidin-1-yl)-6-[2-(2-phenylethyl)phenyl]-2-pyridinyl]oxy]acetamide
PubChem CID71146304
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name2-[[3-cyano-4-(4-methylpiperidin-1-yl)-6-[2-(2-phenylethyl)phenyl]-2-pyridinyl]oxy]acetamide
SMILESCC1CCN(c2cc(-c3ccccc3CCc3ccccc3)nc(OCC(N)=O)c2C#N)CC1
InChIInChI=1S/C28H30N4O2/c1-20-13-15-32(16-14-20)26-17-25(31-28(24(26)18-29)34-19-27(30)33)23-10-6-5-9-22(23)12-11-21-7-3-2-4-8-21/h2-10,17,20H,11-16,19H2,1H3,(H2,30,33)
InChIKeyQFYFNPYSHVLGEC-UHFFFAOYSA-N
XLogP4.51
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4-(4-methylpiperidin-1-yl)-6-[2-(2-phenylethyl)phenyl]-2-pyridinyl]oxy]acetamide?
The IUPAC name of 2-[[3-cyano-4-(4-methylpiperidin-1-yl)-6-[2-(2-phenylethyl)phenyl]-2-pyridinyl]oxy]acetamide (CID 71146304) is 2-[[3-cyano-4-(4-methylpiperidin-1-yl)-6-[2-(2-phenylethyl)phenyl]-2-pyridinyl]oxy]acetamide.
What is the SMILES notation for 2-[[3-cyano-4-(4-methylpiperidin-1-yl)-6-[2-(2-phenylethyl)phenyl]-2-pyridinyl]oxy]acetamide?
The canonical SMILES for 2-[[3-cyano-4-(4-methylpiperidin-1-yl)-6-[2-(2-phenylethyl)phenyl]-2-pyridinyl]oxy]acetamide is CC1CCN(c2cc(-c3ccccc3CCc3ccccc3)nc(OCC(N)=O)c2C#N)CC1.
What is the InChIKey of 2-[[3-cyano-4-(4-methylpiperidin-1-yl)-6-[2-(2-phenylethyl)phenyl]-2-pyridinyl]oxy]acetamide?
The InChIKey is QFYFNPYSHVLGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-20-13-15-32(16-14-20)26-17-25(31-28(24(26)18-29)34-19-27(30)33)23-10-6-5-9-22(23)12-11-21-7-3-2-4-8-21/h2-10,17,20H,11-16,19H2,1H3,(H2,30,33).
What are the key properties of 2-[[3-cyano-4-(4-methylpiperidin-1-yl)-6-[2-(2-phenylethyl)phenyl]-2-pyridinyl]oxy]acetamide?
2-[[3-cyano-4-(4-methylpiperidin-1-yl)-6-[2-(2-phenylethyl)phenyl]-2-pyridinyl]oxy]acetamide has a molecular weight of 454.57 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-4-(4-methylpiperidin-1-yl)-6-[2-(2-phenylethyl)phenyl]-2-pyridinyl]oxy]acetamide is sourced from PubChem (CID 71146304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).