[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate

C18H15N3O5 — CID 2894299

IUPAC[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
SMILESCc1ccnc(NC(=O)COC(=O)CN2C(=O)C(=O)c3ccccc32)c1
InChIInChI=1S/C18H15N3O5/c1-11-6-7-19-14(8-11)20-15(22)10-26-16(23)9-21-13-5-3-2-4-12(13)17(24)18(21)25/h2-8H,9-10H2,1H3,(H,19,20,22)
InChIKeyWUWNPQWSARRRPS-UHFFFAOYSA-N
MW353.33 g/mol
LogP1.10
Rot. Bonds5

About [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate

[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate (PubChem CID 2894299) has the molecular formula C18H15N3O5 and a molecular weight of 353.33 g/mol. Its IUPAC name is [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate.

Molecular Properties

Compound Name[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
PubChem CID2894299
Molecular FormulaC18H15N3O5
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Name[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
SMILESCc1ccnc(NC(=O)COC(=O)CN2C(=O)C(=O)c3ccccc32)c1
InChIInChI=1S/C18H15N3O5/c1-11-6-7-19-14(8-11)20-15(22)10-26-16(23)9-21-13-5-3-2-4-12(13)17(24)18(21)25/h2-8H,9-10H2,1H3,(H,19,20,22)
InChIKeyWUWNPQWSARRRPS-UHFFFAOYSA-N
XLogP1.10
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804539
[2-(2-chloroanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804535
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804356
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 2276147
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804579
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804609
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804306
[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804268
[2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 8505811
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804310
2-methoxy-N-(4-methyl-2-pyridinyl)acetamide
CID 23657944
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804473

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate?
The IUPAC name of [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate (CID 2894299) is [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate.
What is the SMILES notation for [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate?
The canonical SMILES for [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate is Cc1ccnc(NC(=O)COC(=O)CN2C(=O)C(=O)c3ccccc32)c1.
What is the InChIKey of [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate?
The InChIKey is WUWNPQWSARRRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5/c1-11-6-7-19-14(8-11)20-15(22)10-26-16(23)9-21-13-5-3-2-4-12(13)17(24)18(21)25/h2-8H,9-10H2,1H3,(H,19,20,22).
What are the key properties of [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate?
[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate has a molecular weight of 353.33 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate is sourced from PubChem (CID 2894299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).