[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate

C16H15ClN2O3 — CID 2545119

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c1C
InChIInChI=1S/C16H15ClN2O3/c1-10-4-3-5-13(11(10)2)16(21)22-9-15(20)19-14-7-6-12(17)8-18-14/h3-8H,9H2,1-2H3,(H,18,19,20)
InChIKeyFPGIVADXYMTEMP-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.15
Rot. Bonds4

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate (PubChem CID 2545119) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate
PubChem CID2545119
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c1C
InChIInChI=1S/C16H15ClN2O3/c1-10-4-3-5-13(11(10)2)16(21)22-9-15(20)19-14-7-6-12(17)8-18-14/h3-8H,9H2,1-2H3,(H,18,19,20)
InChIKeyFPGIVADXYMTEMP-UHFFFAOYSA-N
XLogP3.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 2617414
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2,3-dimethylbenzoate
CID 2572218
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2545117
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-chlorobenzoate
CID 2479152
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 7873014
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate
CID 55426445
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870707
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 2554738
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,3-dimethylbenzoate
CID 7765240
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 4792667
2-O-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 4875699
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2699600

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate (CID 2545119) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate is Cc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c1C.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate?
The InChIKey is FPGIVADXYMTEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-10-4-3-5-13(11(10)2)16(21)22-9-15(20)19-14-7-6-12(17)8-18-14/h3-8H,9H2,1-2H3,(H,18,19,20).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate has a molecular weight of 318.76 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate is sourced from PubChem (CID 2545119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).