2-[(5-cyano-2-pyridinyl)-methylamino]ethyl 2-phenylacetate

C17H17N3O2 — CID 147270490

IUPAC2-[(5-cyano-2-pyridinyl)-methylamino]ethyl 2-phenylacetate
SMILESCN(CCOC(=O)Cc1ccccc1)c1ccc(C#N)cn1
InChIInChI=1S/C17H17N3O2/c1-20(16-8-7-15(12-18)13-19-16)9-10-22-17(21)11-14-5-3-2-4-6-14/h2-8,13H,9-11H2,1H3
InChIKeyCQHXTKSWAAJYOO-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.18
Rot. Bonds6

About 2-[(5-cyano-2-pyridinyl)-methylamino]ethyl 2-phenylacetate

2-[(5-cyano-2-pyridinyl)-methylamino]ethyl 2-phenylacetate (PubChem CID 147270490) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)-methylamino]ethyl 2-phenylacetate.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)-methylamino]ethyl 2-phenylacetate
PubChem CID147270490
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-[(5-cyano-2-pyridinyl)-methylamino]ethyl 2-phenylacetate
SMILESCN(CCOC(=O)Cc1ccccc1)c1ccc(C#N)cn1
InChIInChI=1S/C17H17N3O2/c1-20(16-8-7-15(12-18)13-19-16)9-10-22-17(21)11-14-5-3-2-4-6-14/h2-8,13H,9-11H2,1H3
InChIKeyCQHXTKSWAAJYOO-UHFFFAOYSA-N
XLogP2.18
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]ethyl 2-phenylacetate?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]ethyl 2-phenylacetate (CID 147270490) is 2-[(5-cyano-2-pyridinyl)-methylamino]ethyl 2-phenylacetate.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)-methylamino]ethyl 2-phenylacetate?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)-methylamino]ethyl 2-phenylacetate is CN(CCOC(=O)Cc1ccccc1)c1ccc(C#N)cn1.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)-methylamino]ethyl 2-phenylacetate?
The InChIKey is CQHXTKSWAAJYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20(16-8-7-15(12-18)13-19-16)9-10-22-17(21)11-14-5-3-2-4-6-14/h2-8,13H,9-11H2,1H3.
What are the key properties of 2-[(5-cyano-2-pyridinyl)-methylamino]ethyl 2-phenylacetate?
2-[(5-cyano-2-pyridinyl)-methylamino]ethyl 2-phenylacetate has a molecular weight of 295.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)-methylamino]ethyl 2-phenylacetate is sourced from PubChem (CID 147270490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).