2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone

C21H25N3O2 — CID 148711519

IUPAC2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone
SMILESNc1ccc(-c2ccccc2)nc1CC(=O)C1CCN(C2COC2)CC1
InChIInChI=1S/C21H25N3O2/c22-18-6-7-19(15-4-2-1-3-5-15)23-20(18)12-21(25)16-8-10-24(11-9-16)17-13-26-14-17/h1-7,16-17H,8-14,22H2
InChIKeyNXHZWCVBPZSWCK-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.55
Rot. Bonds5

About 2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone

2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone (PubChem CID 148711519) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone
PubChem CID148711519
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone
SMILESNc1ccc(-c2ccccc2)nc1CC(=O)C1CCN(C2COC2)CC1
InChIInChI=1S/C21H25N3O2/c22-18-6-7-19(15-4-2-1-3-5-15)23-20(18)12-21(25)16-8-10-24(11-9-16)17-13-26-14-17/h1-7,16-17H,8-14,22H2
InChIKeyNXHZWCVBPZSWCK-UHFFFAOYSA-N
XLogP2.55
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone?
The IUPAC name of 2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone (CID 148711519) is 2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone.
What is the SMILES notation for 2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone?
The canonical SMILES for 2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone is Nc1ccc(-c2ccccc2)nc1CC(=O)C1CCN(C2COC2)CC1.
What is the InChIKey of 2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone?
The InChIKey is NXHZWCVBPZSWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c22-18-6-7-19(15-4-2-1-3-5-15)23-20(18)12-21(25)16-8-10-24(11-9-16)17-13-26-14-17/h1-7,16-17H,8-14,22H2.
What are the key properties of 2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone?
2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone has a molecular weight of 351.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone is sourced from PubChem (CID 148711519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).