2-(pyridine-3-carbonylamino)ethyl 2-phenylacetate

C16H16N2O3 — CID 2129508

IUPAC2-(pyridine-3-carbonylamino)ethyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCCNC(=O)c1cccnc1
InChIInChI=1S/C16H16N2O3/c19-15(11-13-5-2-1-3-6-13)21-10-9-18-16(20)14-7-4-8-17-12-14/h1-8,12H,9-11H2,(H,18,20)
InChIKeyUYWSQSWMSPEBTH-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.60
Rot. Bonds6

About 2-(pyridine-3-carbonylamino)ethyl 2-phenylacetate

2-(pyridine-3-carbonylamino)ethyl 2-phenylacetate (PubChem CID 2129508) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(pyridine-3-carbonylamino)ethyl 2-phenylacetate.

Molecular Properties

Compound Name2-(pyridine-3-carbonylamino)ethyl 2-phenylacetate
PubChem CID2129508
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-(pyridine-3-carbonylamino)ethyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCCNC(=O)c1cccnc1
InChIInChI=1S/C16H16N2O3/c19-15(11-13-5-2-1-3-6-13)21-10-9-18-16(20)14-7-4-8-17-12-14/h1-8,12H,9-11H2,(H,18,20)
InChIKeyUYWSQSWMSPEBTH-UHFFFAOYSA-N
XLogP1.60
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.60
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

Serdexmethylphenidate
CID 134823895
N-(3-phenylpropyl)pyridine-3-carboxamide
CID 4648643
Ethyl 4-(pyridine-3-carbonylamino)benzoate
CID 279888
Phenatine
CID 120640
Nicotinic acid benzylamide
CID 98499
1-(2-Oxo-2-phenyl-acetyl)-piperidine-2-carboxylic acid 3-pyridin-3-yl-propyl ester
CID 15380464
N-(cyclohexylmethyl)nicotinamide
CID 2990659
N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 3246803
Alanine, N-(2-chloronicotinoyl)-3-phenyl-
CID 53560
Serdexmethylphenidate Chloride
CID 134823897
2-(pyridin-3-ylcarbonylamino)ethyl (2~{S})-1-(phenylmethyl)sulfonylpiperidine-2-carboxylate
CID 134135285
N-(4-{[(2-phenylethyl)amino]carbonyl}phenyl)nicotinamide
CID 847915

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-3-carbonylamino)ethyl 2-phenylacetate?
The IUPAC name of 2-(pyridine-3-carbonylamino)ethyl 2-phenylacetate (CID 2129508) is 2-(pyridine-3-carbonylamino)ethyl 2-phenylacetate.
What is the SMILES notation for 2-(pyridine-3-carbonylamino)ethyl 2-phenylacetate?
The canonical SMILES for 2-(pyridine-3-carbonylamino)ethyl 2-phenylacetate is O=C(Cc1ccccc1)OCCNC(=O)c1cccnc1.
What is the InChIKey of 2-(pyridine-3-carbonylamino)ethyl 2-phenylacetate?
The InChIKey is UYWSQSWMSPEBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15(11-13-5-2-1-3-6-13)21-10-9-18-16(20)14-7-4-8-17-12-14/h1-8,12H,9-11H2,(H,18,20).
What are the key properties of 2-(pyridine-3-carbonylamino)ethyl 2-phenylacetate?
2-(pyridine-3-carbonylamino)ethyl 2-phenylacetate has a molecular weight of 284.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-3-carbonylamino)ethyl 2-phenylacetate is sourced from PubChem (CID 2129508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).