[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate

C19H15ClN2O3 — CID 2079261

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESO=C(COC(=O)Cc1cccc2ccccc12)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H15ClN2O3/c20-15-8-9-17(21-11-15)22-18(23)12-25-19(24)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,11H,10,12H2,(H,21,22,23)
InChIKeyAAZSMYDULMBXOB-UHFFFAOYSA-N
MW354.79 g/mol
LogP3.61
Rot. Bonds5

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate (PubChem CID 2079261) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
PubChem CID2079261
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESO=C(COC(=O)Cc1cccc2ccccc12)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H15ClN2O3/c20-15-8-9-17(21-11-15)22-18(23)12-25-19(24)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,11H,10,12H2,(H,21,22,23)
InChIKeyAAZSMYDULMBXOB-UHFFFAOYSA-N
XLogP3.61
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2450474
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2128296
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-naphthalen-1-ylacetate
CID 2089456
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7210519
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492901
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 2617414
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625138
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625274
[2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625330
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2-naphthalen-1-ylacetate
CID 3399745
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7541618
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590310

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate (CID 2079261) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate is O=C(COC(=O)Cc1cccc2ccccc12)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate?
The InChIKey is AAZSMYDULMBXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c20-15-8-9-17(21-11-15)22-18(23)12-25-19(24)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,11H,10,12H2,(H,21,22,23).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate has a molecular weight of 354.79 g/mol, XLogP of 3.61, 5 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-naphthalen-1-ylacetate is sourced from PubChem (CID 2079261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).