2-amino-4-(cyanomethyl)-6-(2,3-dihydroindol-1-yl)pyridin-1-ium-3,5-dicarbonitrile

C17H13N6+ — CID 2103923

IUPAC2-amino-4-(cyanomethyl)-6-(2,3-dihydroindol-1-yl)pyridin-1-ium-3,5-dicarbonitrile
SMILESN#CCc1c(C#N)c(N)[nH+]c(N2CCc3ccccc32)c1C#N
InChIInChI=1S/C17H12N6/c18-7-5-12-13(9-19)16(21)22-17(14(12)10-20)23-8-6-11-3-1-2-4-15(11)23/h1-4H,5-6,8H2,(H2,21,22)/p+1
InChIKeyWMXZMDALZVQNQC-UHFFFAOYSA-O
MW301.33 g/mol
LogP1.59
Rot. Bonds2

About 2-amino-4-(cyanomethyl)-6-(2,3-dihydroindol-1-yl)pyridin-1-ium-3,5-dicarbonitrile

2-amino-4-(cyanomethyl)-6-(2,3-dihydroindol-1-yl)pyridin-1-ium-3,5-dicarbonitrile (PubChem CID 2103923) has the molecular formula C17H13N6+ and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-amino-4-(cyanomethyl)-6-(2,3-dihydroindol-1-yl)pyridin-1-ium-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(cyanomethyl)-6-(2,3-dihydroindol-1-yl)pyridin-1-ium-3,5-dicarbonitrile
PubChem CID2103923
Molecular FormulaC17H13N6+
Molecular Weight301.33 g/mol
Exact Mass301.12
IUPAC Name2-amino-4-(cyanomethyl)-6-(2,3-dihydroindol-1-yl)pyridin-1-ium-3,5-dicarbonitrile
SMILESN#CCc1c(C#N)c(N)[nH+]c(N2CCc3ccccc32)c1C#N
InChIInChI=1S/C17H12N6/c18-7-5-12-13(9-19)16(21)22-17(14(12)10-20)23-8-6-11-3-1-2-4-15(11)23/h1-4H,5-6,8H2,(H2,21,22)/p+1
InChIKeyWMXZMDALZVQNQC-UHFFFAOYSA-O
XLogP1.59
TPSA114.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylpiperazin-1-yl)-6-amino-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile
CID 2410752
5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
CID 63751129
5-(chloromethyl)-2-(2,3-dihydroindol-1-yl)benzonitrile
CID 114063521
5-(2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile
CID 63660506
1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydroindole
CID 121014609
2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 21297635
2-bromo-4-(2,3-dihydroindol-1-yl)-3-fluorobenzonitrile
CID 107533105
2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile
CID 116692280
6-(2,3-dihydroindol-1-yl)pyridine-3-diazonium
CID 58798115
2-[4-(1-oxo-3,4-dihydroisoquinolin-2-yl)phenyl]acetonitrile
CID 83083977
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
1-[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62281361

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyanomethyl)-6-(2,3-dihydroindol-1-yl)pyridin-1-ium-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(cyanomethyl)-6-(2,3-dihydroindol-1-yl)pyridin-1-ium-3,5-dicarbonitrile (CID 2103923) is 2-amino-4-(cyanomethyl)-6-(2,3-dihydroindol-1-yl)pyridin-1-ium-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(cyanomethyl)-6-(2,3-dihydroindol-1-yl)pyridin-1-ium-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(cyanomethyl)-6-(2,3-dihydroindol-1-yl)pyridin-1-ium-3,5-dicarbonitrile is N#CCc1c(C#N)c(N)[nH+]c(N2CCc3ccccc32)c1C#N.
What is the InChIKey of 2-amino-4-(cyanomethyl)-6-(2,3-dihydroindol-1-yl)pyridin-1-ium-3,5-dicarbonitrile?
The InChIKey is WMXZMDALZVQNQC-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H12N6/c18-7-5-12-13(9-19)16(21)22-17(14(12)10-20)23-8-6-11-3-1-2-4-15(11)23/h1-4H,5-6,8H2,(H2,21,22)/p+1.
What are the key properties of 2-amino-4-(cyanomethyl)-6-(2,3-dihydroindol-1-yl)pyridin-1-ium-3,5-dicarbonitrile?
2-amino-4-(cyanomethyl)-6-(2,3-dihydroindol-1-yl)pyridin-1-ium-3,5-dicarbonitrile has a molecular weight of 301.33 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyanomethyl)-6-(2,3-dihydroindol-1-yl)pyridin-1-ium-3,5-dicarbonitrile is sourced from PubChem (CID 2103923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).