4-[(5-aminoindol-1-yl)methyl]pyridine-2-carbonitrile

C15H12N4 — CID 63881946

IUPAC4-[(5-aminoindol-1-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(Cn2ccc3cc(N)ccc32)ccn1
InChIInChI=1S/C15H12N4/c16-9-14-7-11(3-5-18-14)10-19-6-4-12-8-13(17)1-2-15(12)19/h1-8H,10,17H2
InChIKeyXCDJNKVQBIQLGK-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.54
Rot. Bonds2

About 4-[(5-aminoindol-1-yl)methyl]pyridine-2-carbonitrile

4-[(5-aminoindol-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 63881946) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-[(5-aminoindol-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(5-aminoindol-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID63881946
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name4-[(5-aminoindol-1-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(Cn2ccc3cc(N)ccc32)ccn1
InChIInChI=1S/C15H12N4/c16-9-14-7-11(3-5-18-14)10-19-6-4-12-8-13(17)1-2-15(12)19/h1-8H,10,17H2
InChIKeyXCDJNKVQBIQLGK-UHFFFAOYSA-N
XLogP2.54
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk_indol_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-aminoindol-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(5-aminoindol-1-yl)methyl]pyridine-2-carbonitrile (CID 63881946) is 4-[(5-aminoindol-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(5-aminoindol-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(5-aminoindol-1-yl)methyl]pyridine-2-carbonitrile is N#Cc1cc(Cn2ccc3cc(N)ccc32)ccn1.
What is the InChIKey of 4-[(5-aminoindol-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is XCDJNKVQBIQLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c16-9-14-7-11(3-5-18-14)10-19-6-4-12-8-13(17)1-2-15(12)19/h1-8H,10,17H2.
What are the key properties of 4-[(5-aminoindol-1-yl)methyl]pyridine-2-carbonitrile?
4-[(5-aminoindol-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-aminoindol-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63881946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).