2-(pyridin-2-ylamino)ethyl 2-phenylacetate

C15H16N2O2 — CID 58460517

IUPAC2-(pyridin-2-ylamino)ethyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCCNc1ccccn1
InChIInChI=1S/C15H16N2O2/c18-15(12-13-6-2-1-3-7-13)19-11-10-17-14-8-4-5-9-16-14/h1-9H,10-12H2,(H,16,17)
InChIKeyBZKJLATUQBRWDQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.28
Rot. Bonds6

About 2-(pyridin-2-ylamino)ethyl 2-phenylacetate

2-(pyridin-2-ylamino)ethyl 2-phenylacetate (PubChem CID 58460517) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(pyridin-2-ylamino)ethyl 2-phenylacetate.

Molecular Properties

Compound Name2-(pyridin-2-ylamino)ethyl 2-phenylacetate
PubChem CID58460517
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-(pyridin-2-ylamino)ethyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCCNc1ccccn1
InChIInChI=1S/C15H16N2O2/c18-15(12-13-6-2-1-3-7-13)19-11-10-17-14-8-4-5-9-16-14/h1-9H,10-12H2,(H,16,17)
InChIKeyBZKJLATUQBRWDQ-UHFFFAOYSA-N
XLogP2.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(pyridin-2-ylamino)ethyl hydrogen carbonate
CID 91086886
2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate
CID 101151355
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
(3S)-3-amino-4-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]butanoic acid
CID 122522413
4-[2-(pyridin-2-ylamino)ethyl]benzoic acid
CID 82513444
2-(4-aminophenyl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride
CID 119854549
N-(2-fluoroethyl)pyridin-2-amine
CID 23204810
methyl 2-(pyridin-2-ylamino)acetate;hydrochloride
CID 18418885
2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate
CID 71973059
(2-phenylacetyl) 2-phenylacetate;pyridine
CID 88818246
[2-[2-[[3-[3-(pyridin-2-ylamino)propoxy]phenyl]methyl]phenyl]acetyl] 2,2,2-trifluoroacetate
CID 87797398
methyl 2-phenylacetate;pyridine
CID 22282999

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylamino)ethyl 2-phenylacetate?
The IUPAC name of 2-(pyridin-2-ylamino)ethyl 2-phenylacetate (CID 58460517) is 2-(pyridin-2-ylamino)ethyl 2-phenylacetate.
What is the SMILES notation for 2-(pyridin-2-ylamino)ethyl 2-phenylacetate?
The canonical SMILES for 2-(pyridin-2-ylamino)ethyl 2-phenylacetate is O=C(Cc1ccccc1)OCCNc1ccccn1.
What is the InChIKey of 2-(pyridin-2-ylamino)ethyl 2-phenylacetate?
The InChIKey is BZKJLATUQBRWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(12-13-6-2-1-3-7-13)19-11-10-17-14-8-4-5-9-16-14/h1-9H,10-12H2,(H,16,17).
What are the key properties of 2-(pyridin-2-ylamino)ethyl 2-phenylacetate?
2-(pyridin-2-ylamino)ethyl 2-phenylacetate has a molecular weight of 256.31 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylamino)ethyl 2-phenylacetate is sourced from PubChem (CID 58460517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).