azane;ethyl 2-(1-benzyl-2H-pyridin-3-yl)acetate

C16H22N2O2 — CID 172838002

IUPACazane;ethyl 2-(1-benzyl-2H-pyridin-3-yl)acetate
SMILESCCOC(=O)CC1=CC=CN(Cc2ccccc2)C1.N
InChIInChI=1S/C16H19NO2.H3N/c1-2-19-16(18)11-15-9-6-10-17(13-15)12-14-7-4-3-5-8-14;/h3-10H,2,11-13H2,1H3;1H3
InChIKeyWKMDNKFZPNOUGT-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.06
Rot. Bonds5

About azane;ethyl 2-(1-benzyl-2H-pyridin-3-yl)acetate

azane;ethyl 2-(1-benzyl-2H-pyridin-3-yl)acetate (PubChem CID 172838002) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is azane;ethyl 2-(1-benzyl-2H-pyridin-3-yl)acetate.

Molecular Properties

Compound Nameazane;ethyl 2-(1-benzyl-2H-pyridin-3-yl)acetate
PubChem CID172838002
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Nameazane;ethyl 2-(1-benzyl-2H-pyridin-3-yl)acetate
SMILESCCOC(=O)CC1=CC=CN(Cc2ccccc2)C1.N
InChIInChI=1S/C16H19NO2.H3N/c1-2-19-16(18)11-15-9-6-10-17(13-15)12-14-7-4-3-5-8-14;/h3-10H,2,11-13H2,1H3;1H3
InChIKeyWKMDNKFZPNOUGT-UHFFFAOYSA-N
XLogP3.06
TPSA64.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
CID 141257001
1-benzyl-2H-pyridine-3-carboxylic acid
CID 18410440
ethyl 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)acetate
CID 13349686
ethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate
CID 10707422
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
ethyl 1-[[4-(trifluoromethyl)phenyl]methyl]-2H-pyridine-3-carboxylate
CID 134185858
ethyl 2-(7-benzyl-7-azabicyclo[2.2.1]heptan-1-yl)acetate
CID 10707427
ethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate
CID 70059375
ethyl 4-[1-benzyl-4-(2-ethoxy-2-oxoethyl)-3,4-dihydro-2H-pyridin-5-yl]butanoate
CID 102172234
ethyl 2-(1-benzyl-5-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)acetate
CID 11695145
ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031

Frequently Asked Questions

What is the IUPAC name of azane;ethyl 2-(1-benzyl-2H-pyridin-3-yl)acetate?
The IUPAC name of azane;ethyl 2-(1-benzyl-2H-pyridin-3-yl)acetate (CID 172838002) is azane;ethyl 2-(1-benzyl-2H-pyridin-3-yl)acetate.
What is the SMILES notation for azane;ethyl 2-(1-benzyl-2H-pyridin-3-yl)acetate?
The canonical SMILES for azane;ethyl 2-(1-benzyl-2H-pyridin-3-yl)acetate is CCOC(=O)CC1=CC=CN(Cc2ccccc2)C1.N.
What is the InChIKey of azane;ethyl 2-(1-benzyl-2H-pyridin-3-yl)acetate?
The InChIKey is WKMDNKFZPNOUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.H3N/c1-2-19-16(18)11-15-9-6-10-17(13-15)12-14-7-4-3-5-8-14;/h3-10H,2,11-13H2,1H3;1H3.
What are the key properties of azane;ethyl 2-(1-benzyl-2H-pyridin-3-yl)acetate?
azane;ethyl 2-(1-benzyl-2H-pyridin-3-yl)acetate has a molecular weight of 274.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl 2-(1-benzyl-2H-pyridin-3-yl)acetate is sourced from PubChem (CID 172838002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).