azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate

C16H20N2O2 — CID 174610812

IUPACazane;ethyl 2-(2-benzyl-3-pyridinyl)acetate
SMILESCCOC(=O)Cc1cccnc1Cc1ccccc1.N
InChIInChI=1S/C16H17NO2.H3N/c1-2-19-16(18)12-14-9-6-10-17-15(14)11-13-7-4-3-5-8-13;/h3-10H,2,11-12H2,1H3;1H3
InChIKeyMZMGPKVVFZOOHN-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.94
Rot. Bonds5

About azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate

azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate (PubChem CID 174610812) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate.

Molecular Properties

Compound Nameazane;ethyl 2-(2-benzyl-3-pyridinyl)acetate
PubChem CID174610812
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Nameazane;ethyl 2-(2-benzyl-3-pyridinyl)acetate
SMILESCCOC(=O)Cc1cccnc1Cc1ccccc1.N
InChIInChI=1S/C16H17NO2.H3N/c1-2-19-16(18)12-14-9-6-10-17-15(14)11-13-7-4-3-5-8-13;/h3-10H,2,11-12H2,1H3;1H3
InChIKeyMZMGPKVVFZOOHN-UHFFFAOYSA-N
XLogP2.94
TPSA74.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-cyclopropyloxy-3-pyridinyl)acetate
CID 174212115
ethyl 2-phenylacetate
CID 7590
ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
CID 134663371
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate
CID 164897034
ethyl 2-quinolin-8-ylacetate
CID 52562898
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 2-(3-sulfamoyl-2-pyridinyl)acetate
CID 141212885
2-(2-ethoxy-2-oxoethyl)benzoic acid
CID 11367771
2-benzylpyridine-3-carboxamide;dihydrochloride
CID 141007334
ethyl 2-(3-fluoro-4-methyl-2-pyridinyl)acetate
CID 133096616
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759

Frequently Asked Questions

What is the IUPAC name of azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate?
The IUPAC name of azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate (CID 174610812) is azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate.
What is the SMILES notation for azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate?
The canonical SMILES for azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate is CCOC(=O)Cc1cccnc1Cc1ccccc1.N.
What is the InChIKey of azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate?
The InChIKey is MZMGPKVVFZOOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.H3N/c1-2-19-16(18)12-14-9-6-10-17-15(14)11-13-7-4-3-5-8-13;/h3-10H,2,11-12H2,1H3;1H3.
What are the key properties of azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate?
azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate has a molecular weight of 272.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate is sourced from PubChem (CID 174610812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).