6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carbonitrile

C15H14N4 — CID 79742118

IUPAC6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCc3cc(N)ccc32)nc1
InChIInChI=1S/C15H14N4/c16-8-10-1-6-15(18-9-10)19-14-5-2-11-7-12(17)3-4-13(11)14/h1,3-4,6-7,9,14H,2,5,17H2,(H,18,19)
InChIKeyFFIFZLUNZWUAAB-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.63
Rot. Bonds2

About 6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carbonitrile

6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carbonitrile (PubChem CID 79742118) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carbonitrile
PubChem CID79742118
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCc3cc(N)ccc32)nc1
InChIInChI=1S/C15H14N4/c16-8-10-1-6-15(18-9-10)19-14-5-2-11-7-12(17)3-4-13(11)14/h1,3-4,6-7,9,14H,2,5,17H2,(H,18,19)
InChIKeyFFIFZLUNZWUAAB-UHFFFAOYSA-N
XLogP2.63
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carbonitrile (CID 79742118) is 6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carbonitrile is N#Cc1ccc(NC2CCc3cc(N)ccc32)nc1.
What is the InChIKey of 6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carbonitrile?
The InChIKey is FFIFZLUNZWUAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-8-10-1-6-15(18-9-10)19-14-5-2-11-7-12(17)3-4-13(11)14/h1,3-4,6-7,9,14H,2,5,17H2,(H,18,19).
What are the key properties of 6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carbonitrile?
6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carbonitrile has a molecular weight of 250.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 79742118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).