[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate

C16H15ClN2O3 — CID 2624513

IUPAC[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O3/c17-13-6-4-12(5-7-13)8-10-19-15(20)11-22-16(21)14-3-1-2-9-18-14/h1-7,9H,8,10-11H2,(H,19,20)
InChIKeyCALCRQLDUFNSQK-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.25
Rot. Bonds6

About [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate

[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 2624513) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate
PubChem CID2624513
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O3/c17-13-6-4-12(5-7-13)8-10-19-15(20)11-22-16(21)14-3-1-2-9-18-14/h1-7,9H,8,10-11H2,(H,19,20)
InChIKeyCALCRQLDUFNSQK-UHFFFAOYSA-N
XLogP2.25
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 8860404
[2-oxo-2-(2-phenylethylamino)ethyl] 4-chlorobenzoate
CID 2714989
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497721
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 8631119
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 55424719
[2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088651
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 8983699
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009331
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2553995
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825438
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 2569917
[2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088633

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate (CID 2624513) is [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate is O=C(COC(=O)c1ccccn1)NCCc1ccc(Cl)cc1.
What is the InChIKey of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is CALCRQLDUFNSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c17-13-6-4-12(5-7-13)8-10-19-15(20)11-22-16(21)14-3-1-2-9-18-14/h1-7,9H,8,10-11H2,(H,19,20).
What are the key properties of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate?
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 318.76 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 2624513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).