2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide

C16H14FN3O — CID 10826823

IUPAC2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccncc1
InChIInChI=1S/C16H14FN3O/c1-10-13(14-8-11(17)2-3-15(14)19-10)9-16(21)20-12-4-6-18-7-5-12/h2-8,19H,9H2,1H3,(H,18,20,21)
InChIKeyORWMCULXUXBDMD-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.19
Rot. Bonds3

About 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide (PubChem CID 10826823) 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-4-ylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide
PubChem CID10826823
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccncc1
InChIInChI=1S/C16H14FN3O/c1-10-13(14-8-11(17)2-3-15(14)19-10)9-16(21)20-12-4-6-18-7-5-12/h2-8,19H,9H2,1H3,(H,18,20,21)
InChIKeyORWMCULXUXBDMD-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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Related Compounds

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
CID 31855827
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide
CID 3655714
N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31901245
N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 86857821
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide
CID 31899230
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide
CID 113212078
N-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 113211880
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
CID 31968622
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide
CID 91954220
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide
CID 113212201
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]acetamide
CID 60550111
N-pyridin-4-yl-2-(2,4,6-trifluorophenyl)acetamide
CID 110487556

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide (CID 10826823) is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide is Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccncc1.
What is the InChIKey of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide?
The InChIKey is ORWMCULXUXBDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10-13(14-8-11(17)2-3-15(14)19-10)9-16(21)20-12-4-6-18-7-5-12/h2-8,19H,9H2,1H3,(H,18,20,21).
What are the key properties of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide?
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-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-4-ylacetamide is sourced from PubChem (CID 10826823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).