5-amino-6-(1H-indol-5-ylamino)pyridine-3-carbonitrile

C14H11N5 — CID 18509743

IUPAC5-amino-6-(1H-indol-5-ylamino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(Nc2ccc3[nH]ccc3c2)c(N)c1
InChIInChI=1S/C14H11N5/c15-7-9-5-12(16)14(18-8-9)19-11-1-2-13-10(6-11)3-4-17-13/h1-6,8,17H,16H2,(H,18,19)
InChIKeyQUUKZGUHDAQPMT-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.76
Rot. Bonds2

About 5-amino-6-(1H-indol-5-ylamino)pyridine-3-carbonitrile

5-amino-6-(1H-indol-5-ylamino)pyridine-3-carbonitrile (PubChem CID 18509743) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 5-amino-6-(1H-indol-5-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(1H-indol-5-ylamino)pyridine-3-carbonitrile
PubChem CID18509743
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name5-amino-6-(1H-indol-5-ylamino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(Nc2ccc3[nH]ccc3c2)c(N)c1
InChIInChI=1S/C14H11N5/c15-7-9-5-12(16)14(18-8-9)19-11-1-2-13-10(6-11)3-4-17-13/h1-6,8,17H,16H2,(H,18,19)
InChIKeyQUUKZGUHDAQPMT-UHFFFAOYSA-N
XLogP2.76
TPSA90.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1H-indol-5-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(1H-indol-5-ylamino)pyridine-3-carbonitrile (CID 18509743) is 5-amino-6-(1H-indol-5-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(1H-indol-5-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(1H-indol-5-ylamino)pyridine-3-carbonitrile is N#Cc1cnc(Nc2ccc3[nH]ccc3c2)c(N)c1.
What is the InChIKey of 5-amino-6-(1H-indol-5-ylamino)pyridine-3-carbonitrile?
The InChIKey is QUUKZGUHDAQPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c15-7-9-5-12(16)14(18-8-9)19-11-1-2-13-10(6-11)3-4-17-13/h1-6,8,17H,16H2,(H,18,19).
What are the key properties of 5-amino-6-(1H-indol-5-ylamino)pyridine-3-carbonitrile?
5-amino-6-(1H-indol-5-ylamino)pyridine-3-carbonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1H-indol-5-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 18509743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).