[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate

C15H13ClN2O3 — CID 2429771

IUPAC[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)NCc1ccccc1Cl
InChIInChI=1S/C15H13ClN2O3/c16-12-6-2-1-5-11(12)9-18-14(19)10-21-15(20)13-7-3-4-8-17-13/h1-8H,9-10H2,(H,18,19)
InChIKeyUVRWJHRJURHJMA-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.21
Rot. Bonds5

About [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 2429771) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
PubChem CID2429771
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)NCc1ccccc1Cl
InChIInChI=1S/C15H13ClN2O3/c16-12-6-2-1-5-11(12)9-18-14(19)10-21-15(20)13-7-3-4-8-17-13/h1-8H,9-10H2,(H,18,19)
InChIKeyUVRWJHRJURHJMA-UHFFFAOYSA-N
XLogP2.21
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate (CID 2429771) is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate is O=C(COC(=O)c1ccccn1)NCc1ccccc1Cl.
What is the InChIKey of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is UVRWJHRJURHJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-12-6-2-1-5-11(12)9-18-14(19)10-21-15(20)13-7-3-4-8-17-13/h1-8H,9-10H2,(H,18,19).
What are the key properties of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate?
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 304.73 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 2429771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).