benzyl 2-(ethylamino)-2,2-dipyridin-2-ylacetate

C21H21N3O2 — CID 54036342

IUPACbenzyl 2-(ethylamino)-2,2-dipyridin-2-ylacetate
SMILESCCNC(C(=O)OCc1ccccc1)(c1ccccn1)c1ccccn1
InChIInChI=1S/C21H21N3O2/c1-2-24-21(18-12-6-8-14-22-18,19-13-7-9-15-23-19)20(25)26-16-17-10-4-3-5-11-17/h3-15,24H,2,16H2,1H3
InChIKeyLJFQDNWADPNEDI-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.07
Rot. Bonds7

About benzyl 2-(ethylamino)-2,2-dipyridin-2-ylacetate

benzyl 2-(ethylamino)-2,2-dipyridin-2-ylacetate (PubChem CID 54036342) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is benzyl 2-(ethylamino)-2,2-dipyridin-2-ylacetate.

Molecular Properties

Compound Namebenzyl 2-(ethylamino)-2,2-dipyridin-2-ylacetate
PubChem CID54036342
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Namebenzyl 2-(ethylamino)-2,2-dipyridin-2-ylacetate
SMILESCCNC(C(=O)OCc1ccccc1)(c1ccccn1)c1ccccn1
InChIInChI=1S/C21H21N3O2/c1-2-24-21(18-12-6-8-14-22-18,19-13-7-9-15-23-19)20(25)26-16-17-10-4-3-5-11-17/h3-15,24H,2,16H2,1H3
InChIKeyLJFQDNWADPNEDI-UHFFFAOYSA-N
XLogP3.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2R)-2-amino-2-pyridin-2-ylpropanoate
CID 91437658
2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid
CID 103664078
triethyl pyridin-2-ylmethanetricarboxylate
CID 102130107
benzyl 3-hydrazinyl-2,2-dimethyl-3-oxopropanoate
CID 134573796
(2S)-6-amino-2-(ethylamino)-2-phenylmethoxycarbonylhexanoic acid
CID 118495742
benzyl (2S)-2-amino-2-methylbutanoate
CID 15660566
benzyl 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate
CID 165018733
benzyl 2-(carbamoylcarbamoyl)-2-ethylbutanoate
CID 23275711
ethyl 2-(methylamino)-2-pyridin-2-ylpropanoate
CID 60788232
benzyl 2-amino-2-hydroxypropanoate
CID 67630480
benzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate
CID 174747331
benzyl (2S)-2-hydroxy-2-phenylbutanoate
CID 155930279

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(ethylamino)-2,2-dipyridin-2-ylacetate?
The IUPAC name of benzyl 2-(ethylamino)-2,2-dipyridin-2-ylacetate (CID 54036342) is benzyl 2-(ethylamino)-2,2-dipyridin-2-ylacetate.
What is the SMILES notation for benzyl 2-(ethylamino)-2,2-dipyridin-2-ylacetate?
The canonical SMILES for benzyl 2-(ethylamino)-2,2-dipyridin-2-ylacetate is CCNC(C(=O)OCc1ccccc1)(c1ccccn1)c1ccccn1.
What is the InChIKey of benzyl 2-(ethylamino)-2,2-dipyridin-2-ylacetate?
The InChIKey is LJFQDNWADPNEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-2-24-21(18-12-6-8-14-22-18,19-13-7-9-15-23-19)20(25)26-16-17-10-4-3-5-11-17/h3-15,24H,2,16H2,1H3.
What are the key properties of benzyl 2-(ethylamino)-2,2-dipyridin-2-ylacetate?
benzyl 2-(ethylamino)-2,2-dipyridin-2-ylacetate has a molecular weight of 347.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(ethylamino)-2,2-dipyridin-2-ylacetate is sourced from PubChem (CID 54036342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).