2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide

C16H14FN3O — CID 3655714

IUPAC2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)Nc1cccnc1
InChIInChI=1S/C16H14FN3O/c1-10-13(14-7-11(17)4-5-15(14)19-10)8-16(21)20-12-3-2-6-18-9-12/h2-7,9,19H,8H2,1H3,(H,20,21)
InChIKeyGGOUSPODDKEQJD-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.19
Rot. Bonds3

About 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide (PubChem CID 3655714) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide
PubChem CID3655714
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)Nc1cccnc1
InChIInChI=1S/C16H14FN3O/c1-10-13(14-7-11(17)4-5-15(14)19-10)8-16(21)20-12-3-2-6-18-9-12/h2-7,9,19H,8H2,1H3,(H,20,21)
InChIKeyGGOUSPODDKEQJD-UHFFFAOYSA-N
XLogP3.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide (CID 3655714) is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide is Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1cccnc1.
What is the InChIKey of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide?
The InChIKey is GGOUSPODDKEQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10-13(14-7-11(17)4-5-15(14)19-10)8-16(21)20-12-3-2-6-18-9-12/h2-7,9,19H,8H2,1H3,(H,20,21).
What are the key properties of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide?
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide has a molecular weight of 283.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 3655714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).