2-(1-aminoindol-3-yl)acetonitrile;2-[1-(pyridin-4-ylamino)indol-3-yl]acetonitrile

C25H21N7 — CID 67671525

IUPAC2-(1-aminoindol-3-yl)acetonitrile;2-[1-(pyridin-4-ylamino)indol-3-yl]acetonitrile
SMILESN#CCc1cn(N)c2ccccc12.N#CCc1cn(Nc2ccncc2)c2ccccc12
InChIInChI=1S/C15H12N4.C10H9N3/c16-8-5-12-11-19(15-4-2-1-3-14(12)15)18-13-6-9-17-10-7-13;11-6-5-8-7-13(12)10-4-2-1-3-9(8)10/h1-4,6-7,9-11H,5H2,(H,17,18);1-4,7H,5,12H2
InChIKeyKEUQCVANUDSOSA-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.40
Rot. Bonds4

About 2-(1-aminoindol-3-yl)acetonitrile;2-[1-(pyridin-4-ylamino)indol-3-yl]acetonitrile

2-(1-aminoindol-3-yl)acetonitrile;2-[1-(pyridin-4-ylamino)indol-3-yl]acetonitrile (PubChem CID 67671525) has the molecular formula C25H21N7 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-(1-aminoindol-3-yl)acetonitrile;2-[1-(pyridin-4-ylamino)indol-3-yl]acetonitrile.

Molecular Properties

Compound Name2-(1-aminoindol-3-yl)acetonitrile;2-[1-(pyridin-4-ylamino)indol-3-yl]acetonitrile
PubChem CID67671525
Molecular FormulaC25H21N7
Molecular Weight419.49 g/mol
Exact Mass419.19
IUPAC Name2-(1-aminoindol-3-yl)acetonitrile;2-[1-(pyridin-4-ylamino)indol-3-yl]acetonitrile
SMILESN#CCc1cn(N)c2ccccc12.N#CCc1cn(Nc2ccncc2)c2ccccc12
InChIInChI=1S/C15H12N4.C10H9N3/c16-8-5-12-11-19(15-4-2-1-3-14(12)15)18-13-6-9-17-10-7-13;11-6-5-8-7-13(12)10-4-2-1-3-9(8)10/h1-4,6-7,9-11H,5H2,(H,17,18);1-4,7H,5,12H2
InChIKeyKEUQCVANUDSOSA-UHFFFAOYSA-N
XLogP4.40
TPSA108.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoindol-3-yl)acetonitrile;2-[1-(pyridin-4-ylamino)indol-3-yl]acetonitrile?
The IUPAC name of 2-(1-aminoindol-3-yl)acetonitrile;2-[1-(pyridin-4-ylamino)indol-3-yl]acetonitrile (CID 67671525) is 2-(1-aminoindol-3-yl)acetonitrile;2-[1-(pyridin-4-ylamino)indol-3-yl]acetonitrile.
What is the SMILES notation for 2-(1-aminoindol-3-yl)acetonitrile;2-[1-(pyridin-4-ylamino)indol-3-yl]acetonitrile?
The canonical SMILES for 2-(1-aminoindol-3-yl)acetonitrile;2-[1-(pyridin-4-ylamino)indol-3-yl]acetonitrile is N#CCc1cn(N)c2ccccc12.N#CCc1cn(Nc2ccncc2)c2ccccc12.
What is the InChIKey of 2-(1-aminoindol-3-yl)acetonitrile;2-[1-(pyridin-4-ylamino)indol-3-yl]acetonitrile?
The InChIKey is KEUQCVANUDSOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4.C10H9N3/c16-8-5-12-11-19(15-4-2-1-3-14(12)15)18-13-6-9-17-10-7-13;11-6-5-8-7-13(12)10-4-2-1-3-9(8)10/h1-4,6-7,9-11H,5H2,(H,17,18);1-4,7H,5,12H2.
What are the key properties of 2-(1-aminoindol-3-yl)acetonitrile;2-[1-(pyridin-4-ylamino)indol-3-yl]acetonitrile?
2-(1-aminoindol-3-yl)acetonitrile;2-[1-(pyridin-4-ylamino)indol-3-yl]acetonitrile has a molecular weight of 419.49 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoindol-3-yl)acetonitrile;2-[1-(pyridin-4-ylamino)indol-3-yl]acetonitrile is sourced from PubChem (CID 67671525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).