1-[1-(4-methyl-2-pyridinyl)indol-3-yl]ethanone

C16H14N2O — CID 58206222

IUPAC1-[1-(4-methyl-2-pyridinyl)indol-3-yl]ethanone
SMILESCC(=O)c1cn(-c2cc(C)ccn2)c2ccccc12
InChIInChI=1S/C16H14N2O/c1-11-7-8-17-16(9-11)18-10-14(12(2)19)13-5-3-4-6-15(13)18/h3-10H,1-2H3
InChIKeyZZXZTBZTUVPKNM-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.54
Rot. Bonds2

About 1-[1-(4-methyl-2-pyridinyl)indol-3-yl]ethanone

1-[1-(4-methyl-2-pyridinyl)indol-3-yl]ethanone (PubChem CID 58206222) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[1-(4-methyl-2-pyridinyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-methyl-2-pyridinyl)indol-3-yl]ethanone
PubChem CID58206222
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-[1-(4-methyl-2-pyridinyl)indol-3-yl]ethanone
SMILESCC(=O)c1cn(-c2cc(C)ccn2)c2ccccc12
InChIInChI=1S/C16H14N2O/c1-11-7-8-17-16(9-11)18-10-14(12(2)19)13-5-3-4-6-15(13)18/h3-10H,1-2H3
InChIKeyZZXZTBZTUVPKNM-UHFFFAOYSA-N
XLogP3.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-2-pyridinyl)indol-3-yl]ethanone?
The IUPAC name of 1-[1-(4-methyl-2-pyridinyl)indol-3-yl]ethanone (CID 58206222) is 1-[1-(4-methyl-2-pyridinyl)indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(4-methyl-2-pyridinyl)indol-3-yl]ethanone?
The canonical SMILES for 1-[1-(4-methyl-2-pyridinyl)indol-3-yl]ethanone is CC(=O)c1cn(-c2cc(C)ccn2)c2ccccc12.
What is the InChIKey of 1-[1-(4-methyl-2-pyridinyl)indol-3-yl]ethanone?
The InChIKey is ZZXZTBZTUVPKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-7-8-17-16(9-11)18-10-14(12(2)19)13-5-3-4-6-15(13)18/h3-10H,1-2H3.
What are the key properties of 1-[1-(4-methyl-2-pyridinyl)indol-3-yl]ethanone?
1-[1-(4-methyl-2-pyridinyl)indol-3-yl]ethanone has a molecular weight of 250.30 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-2-pyridinyl)indol-3-yl]ethanone is sourced from PubChem (CID 58206222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).