1-methyl-2-oxo-5-pyridin-3-yl-3H-indole-6-carbonitrile

C15H11N3O — CID 66793897

IUPAC1-methyl-2-oxo-5-pyridin-3-yl-3H-indole-6-carbonitrile
SMILESCN1C(=O)Cc2cc(-c3cccnc3)c(C#N)cc21
InChIInChI=1S/C15H11N3O/c1-18-14-6-12(8-16)13(5-11(14)7-15(18)19)10-3-2-4-17-9-10/h2-6,9H,7H2,1H3
InChIKeyFSXJUDMMBIXQJV-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.14
Rot. Bonds1

About 1-methyl-2-oxo-5-pyridin-3-yl-3H-indole-6-carbonitrile

1-methyl-2-oxo-5-pyridin-3-yl-3H-indole-6-carbonitrile (PubChem CID 66793897) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-methyl-2-oxo-5-pyridin-3-yl-3H-indole-6-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-oxo-5-pyridin-3-yl-3H-indole-6-carbonitrile
PubChem CID66793897
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name1-methyl-2-oxo-5-pyridin-3-yl-3H-indole-6-carbonitrile
SMILESCN1C(=O)Cc2cc(-c3cccnc3)c(C#N)cc21
InChIInChI=1S/C15H11N3O/c1-18-14-6-12(8-16)13(5-11(14)7-15(18)19)10-3-2-4-17-9-10/h2-6,9H,7H2,1H3
InChIKeyFSXJUDMMBIXQJV-UHFFFAOYSA-N
XLogP2.14
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-5-pyridin-3-yl-3H-indole-6-carbonitrile?
The IUPAC name of 1-methyl-2-oxo-5-pyridin-3-yl-3H-indole-6-carbonitrile (CID 66793897) is 1-methyl-2-oxo-5-pyridin-3-yl-3H-indole-6-carbonitrile.
What is the SMILES notation for 1-methyl-2-oxo-5-pyridin-3-yl-3H-indole-6-carbonitrile?
The canonical SMILES for 1-methyl-2-oxo-5-pyridin-3-yl-3H-indole-6-carbonitrile is CN1C(=O)Cc2cc(-c3cccnc3)c(C#N)cc21.
What is the InChIKey of 1-methyl-2-oxo-5-pyridin-3-yl-3H-indole-6-carbonitrile?
The InChIKey is FSXJUDMMBIXQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-18-14-6-12(8-16)13(5-11(14)7-15(18)19)10-3-2-4-17-9-10/h2-6,9H,7H2,1H3.
What are the key properties of 1-methyl-2-oxo-5-pyridin-3-yl-3H-indole-6-carbonitrile?
1-methyl-2-oxo-5-pyridin-3-yl-3H-indole-6-carbonitrile has a molecular weight of 249.27 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-5-pyridin-3-yl-3H-indole-6-carbonitrile is sourced from PubChem (CID 66793897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).