3-[(4-methoxyindol-1-yl)methyl]pyridine-2-carbonitrile

C16H13N3O — CID 83174077

IUPAC3-[(4-methoxyindol-1-yl)methyl]pyridine-2-carbonitrile
SMILESCOc1cccc2c1ccn2Cc1cccnc1C#N
InChIInChI=1S/C16H13N3O/c1-20-16-6-2-5-15-13(16)7-9-19(15)11-12-4-3-8-18-14(12)10-17/h2-9H,11H2,1H3
InChIKeyPSXVBIZEMZYJPB-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.96
Rot. Bonds3

About 3-[(4-methoxyindol-1-yl)methyl]pyridine-2-carbonitrile

3-[(4-methoxyindol-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 83174077) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[(4-methoxyindol-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(4-methoxyindol-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID83174077
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name3-[(4-methoxyindol-1-yl)methyl]pyridine-2-carbonitrile
SMILESCOc1cccc2c1ccn2Cc1cccnc1C#N
InChIInChI=1S/C16H13N3O/c1-20-16-6-2-5-15-13(16)7-9-19(15)11-12-4-3-8-18-14(12)10-17/h2-9H,11H2,1H3
InChIKeyPSXVBIZEMZYJPB-UHFFFAOYSA-N
XLogP2.96
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyindol-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(4-methoxyindol-1-yl)methyl]pyridine-2-carbonitrile (CID 83174077) is 3-[(4-methoxyindol-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(4-methoxyindol-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(4-methoxyindol-1-yl)methyl]pyridine-2-carbonitrile is COc1cccc2c1ccn2Cc1cccnc1C#N.
What is the InChIKey of 3-[(4-methoxyindol-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is PSXVBIZEMZYJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-20-16-6-2-5-15-13(16)7-9-19(15)11-12-4-3-8-18-14(12)10-17/h2-9H,11H2,1H3.
What are the key properties of 3-[(4-methoxyindol-1-yl)methyl]pyridine-2-carbonitrile?
3-[(4-methoxyindol-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyindol-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 83174077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).