2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)acetamide

C19H25N5O2 — CID 53189229

IUPAC2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)acetamide
SMILESCOc1nccc(N2CCC(CC(=O)NCCc3ccccn3)CC2)n1
InChIInChI=1S/C19H25N5O2/c1-26-19-22-11-6-17(23-19)24-12-7-15(8-13-24)14-18(25)21-10-5-16-4-2-3-9-20-16/h2-4,6,9,11,15H,5,7-8,10,12-14H2,1H3,(H,21,25)
InChIKeyXLDUAYNEBJZBAQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.85
Rot. Bonds7

About 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)acetamide

2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 53189229) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID53189229
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)acetamide
SMILESCOc1nccc(N2CCC(CC(=O)NCCc3ccccn3)CC2)n1
InChIInChI=1S/C19H25N5O2/c1-26-19-22-11-6-17(23-19)24-12-7-15(8-13-24)14-18(25)21-10-5-16-4-2-3-9-20-16/h2-4,6,9,11,15H,5,7-8,10,12-14H2,1H3,(H,21,25)
InChIKeyXLDUAYNEBJZBAQ-UHFFFAOYSA-N
XLogP1.85
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)acetamide (CID 53189229) is 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)acetamide is COc1nccc(N2CCC(CC(=O)NCCc3ccccn3)CC2)n1.
What is the InChIKey of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is XLDUAYNEBJZBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-26-19-22-11-6-17(23-19)24-12-7-15(8-13-24)14-18(25)21-10-5-16-4-2-3-9-20-16/h2-4,6,9,11,15H,5,7-8,10,12-14H2,1H3,(H,21,25).
What are the key properties of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)acetamide?
2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 53189229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).