[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyanobenzoate

C15H9Cl2N3O3 — CID 2626390

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyanobenzoate
SMILESN#Cc1cccc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C15H9Cl2N3O3/c16-11-5-12(17)14(19-7-11)20-13(21)8-23-15(22)10-3-1-2-9(4-10)6-18/h1-5,7H,8H2,(H,19,20,21)
InChIKeyRQNRVTHGIXFXID-UHFFFAOYSA-N
MW350.16 g/mol
LogP3.06
Rot. Bonds4

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyanobenzoate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyanobenzoate (PubChem CID 2626390) has the molecular formula C15H9Cl2N3O3 and a molecular weight of 350.16 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyanobenzoate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyanobenzoate
PubChem CID2626390
Molecular FormulaC15H9Cl2N3O3
Molecular Weight350.16 g/mol
Exact Mass349.00
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyanobenzoate
SMILESN#Cc1cccc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C15H9Cl2N3O3/c16-11-5-12(17)14(19-7-11)20-13(21)8-23-15(22)10-3-1-2-9(4-10)6-18/h1-5,7H,8H2,(H,19,20,21)
InChIKeyRQNRVTHGIXFXID-UHFFFAOYSA-N
XLogP3.06
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3,5-dichlorobenzoate
CID 2381180
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 4531982
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2373927
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-cyanobenzoate
CID 2626180
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 3453907
[2-(3-cyanoanilino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 7864825
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 4-cyanobenzoate
CID 4102499
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-cyanobenzoate
CID 2626302
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate
CID 2392460
[2-(4-methylanilino)-2-oxoethyl] 3-cyanobenzoate
CID 2626209
[2-(4-ethoxyanilino)-2-oxoethyl] 3-cyanobenzoate
CID 2626294
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3-fluorobenzoate
CID 2385544

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyanobenzoate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyanobenzoate (CID 2626390) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyanobenzoate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyanobenzoate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyanobenzoate is N#Cc1cccc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyanobenzoate?
The InChIKey is RQNRVTHGIXFXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O3/c16-11-5-12(17)14(19-7-11)20-13(21)8-23-15(22)10-3-1-2-9(4-10)6-18/h1-5,7H,8H2,(H,19,20,21).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyanobenzoate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyanobenzoate has a molecular weight of 350.16 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyanobenzoate is sourced from PubChem (CID 2626390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).