[2-(benzylamino)-2-oxoethyl] pyridine-2-carboxylate

C15H14N2O3 — CID 2351947

IUPAC[2-(benzylamino)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)NCc1ccccc1
InChIInChI=1S/C15H14N2O3/c18-14(17-10-12-6-2-1-3-7-12)11-20-15(19)13-8-4-5-9-16-13/h1-9H,10-11H2,(H,17,18)
InChIKeyYCFIFQLEPBEDMN-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.55
Rot. Bonds5

About [2-(benzylamino)-2-oxoethyl] pyridine-2-carboxylate

[2-(benzylamino)-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 2351947) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] pyridine-2-carboxylate
PubChem CID2351947
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name[2-(benzylamino)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)NCc1ccccc1
InChIInChI=1S/C15H14N2O3/c18-14(17-10-12-6-2-1-3-7-12)11-20-15(19)13-8-4-5-9-16-13/h1-9H,10-11H2,(H,17,18)
InChIKeyYCFIFQLEPBEDMN-UHFFFAOYSA-N
XLogP1.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] pyridine-2-carboxylate (CID 2351947) is [2-(benzylamino)-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] pyridine-2-carboxylate is O=C(COC(=O)c1ccccn1)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is YCFIFQLEPBEDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14(17-10-12-6-2-1-3-7-12)11-20-15(19)13-8-4-5-9-16-13/h1-9H,10-11H2,(H,17,18).
What are the key properties of [2-(benzylamino)-2-oxoethyl] pyridine-2-carboxylate?
[2-(benzylamino)-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 270.29 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 2351947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).