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

C18H19ClN2O4 — CID 24687083

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
SMILESCc1ccc(C)c(OCCC(=O)OCC(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C18H19ClN2O4/c1-12-3-4-13(2)15(9-12)24-8-7-18(23)25-11-17(22)21-16-6-5-14(19)10-20-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,21,22)
InChIKeyIHLATDIWCRIVIR-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.30
Rot. Bonds7

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

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate (PubChem CID 24687083) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
PubChem CID24687083
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
SMILESCc1ccc(C)c(OCCC(=O)OCC(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C18H19ClN2O4/c1-12-3-4-13(2)15(9-12)24-8-7-18(23)25-11-17(22)21-16-6-5-14(19)10-20-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,21,22)
InChIKeyIHLATDIWCRIVIR-UHFFFAOYSA-N
XLogP3.30
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
CID 2401865
dimethyl 5-[[2-[3-(2,5-dimethylphenoxy)propanoyloxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 55317889
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23818620
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
CID 7604984
N-(5-chloro-2-pyridinyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 4776497
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7210203
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596098
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2450474
3-(2,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 78799816
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 46794045
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918767
N-(5-chloro-2-pyridinyl)-2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786877

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate (CID 24687083) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate is Cc1ccc(C)c(OCCC(=O)OCC(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate?
The InChIKey is IHLATDIWCRIVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-12-3-4-13(2)15(9-12)24-8-7-18(23)25-11-17(22)21-16-6-5-14(19)10-20-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,21,22).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate has a molecular weight of 362.81 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate is sourced from PubChem (CID 24687083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).