[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate

C18H16FN3O3 — CID 134405482

IUPAC[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
SMILESCc1[nH]c2ccccc2c1CC(=O)OCC(=O)Nc1ccc(F)cn1
InChIInChI=1S/C18H16FN3O3/c1-11-14(13-4-2-3-5-15(13)21-11)8-18(24)25-10-17(23)22-16-7-6-12(19)9-20-16/h2-7,9,21H,8,10H2,1H3,(H,20,22,23)
InChIKeyZUAMTQCHYALMRM-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.73
Rot. Bonds5

About [2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate

[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate (PubChem CID 134405482) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is [2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
PubChem CID134405482
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
SMILESCc1[nH]c2ccccc2c1CC(=O)OCC(=O)Nc1ccc(F)cn1
InChIInChI=1S/C18H16FN3O3/c1-11-14(13-4-2-3-5-15(13)21-11)8-18(24)25-10-17(23)22-16-7-6-12(19)9-20-16/h2-7,9,21H,8,10H2,1H3,(H,20,22,23)
InChIKeyZUAMTQCHYALMRM-UHFFFAOYSA-N
XLogP2.73
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
CID 38338434
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
CID 38330775
(2-oxo-2-phenylmethoxyethyl) 2-(2-methyl-1H-indol-3-yl)acetate
CID 134405594
2-(2-methyl-1H-indol-3-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 31903883
1,3-benzothiazol-2-ylmethyl 2-(2-methyl-1H-indol-3-yl)acetate
CID 38339297
2-(2-methyl-1H-indol-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 46423302
ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
CID 70807104
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 115680666
2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 113211384
ethyl (E)-3-(4-fluorophenyl)-2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate
CID 11393567
N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043
2-methyl-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide
CID 46596321

Frequently Asked Questions

What is the IUPAC name of [2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate?
The IUPAC name of [2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate (CID 134405482) is [2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate.
What is the SMILES notation for [2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate?
The canonical SMILES for [2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate is Cc1[nH]c2ccccc2c1CC(=O)OCC(=O)Nc1ccc(F)cn1.
What is the InChIKey of [2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate?
The InChIKey is ZUAMTQCHYALMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-11-14(13-4-2-3-5-15(13)21-11)8-18(24)25-10-17(23)22-16-7-6-12(19)9-20-16/h2-7,9,21H,8,10H2,1H3,(H,20,22,23).
What are the key properties of [2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate?
[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate has a molecular weight of 341.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate is sourced from PubChem (CID 134405482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).