3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)benzonitrile

C20H14N4 — CID 15602891

IUPAC3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)benzonitrile
SMILESN#Cc1cc(Nc2cccnc2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C20H14N4/c21-12-14-9-15(18-4-1-5-20-19(18)6-8-23-20)11-17(10-14)24-16-3-2-7-22-13-16/h1-11,13,23-24H
InChIKeyQKCCHJYMPDLWCY-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.85
Rot. Bonds3

About 3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)benzonitrile

3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)benzonitrile (PubChem CID 15602891) has the molecular formula C20H14N4 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)benzonitrile.

Molecular Properties

Compound Name3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)benzonitrile
PubChem CID15602891
Molecular FormulaC20H14N4
Molecular Weight310.36 g/mol
Exact Mass310.12
IUPAC Name3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)benzonitrile
SMILESN#Cc1cc(Nc2cccnc2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C20H14N4/c21-12-14-9-15(18-4-1-5-20-19(18)6-8-23-20)11-17(10-14)24-16-3-2-7-22-13-16/h1-11,13,23-24H
InChIKeyQKCCHJYMPDLWCY-UHFFFAOYSA-N
XLogP4.85
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)benzonitrile?
The IUPAC name of 3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)benzonitrile (CID 15602891) is 3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)benzonitrile.
What is the SMILES notation for 3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)benzonitrile?
The canonical SMILES for 3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)benzonitrile is N#Cc1cc(Nc2cccnc2)cc(-c2cccc3[nH]ccc23)c1.
What is the InChIKey of 3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)benzonitrile?
The InChIKey is QKCCHJYMPDLWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4/c21-12-14-9-15(18-4-1-5-20-19(18)6-8-23-20)11-17(10-14)24-16-3-2-7-22-13-16/h1-11,13,23-24H.
What are the key properties of 3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)benzonitrile?
3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)benzonitrile has a molecular weight of 310.36 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)benzonitrile is sourced from PubChem (CID 15602891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).