5-[(2-methylquinolin-8-yl)amino]pyridine-2-carbonitrile

C16H12N4 — CID 115487676

IUPAC5-[(2-methylquinolin-8-yl)amino]pyridine-2-carbonitrile
SMILESCc1ccc2cccc(Nc3ccc(C#N)nc3)c2n1
InChIInChI=1S/C16H12N4/c1-11-5-6-12-3-2-4-15(16(12)19-11)20-14-8-7-13(9-17)18-10-14/h2-8,10,20H,1H3
InChIKeyPGIFJRIQROKNJU-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.55
Rot. Bonds2

About 5-[(2-methylquinolin-8-yl)amino]pyridine-2-carbonitrile

5-[(2-methylquinolin-8-yl)amino]pyridine-2-carbonitrile (PubChem CID 115487676) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-[(2-methylquinolin-8-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-methylquinolin-8-yl)amino]pyridine-2-carbonitrile
PubChem CID115487676
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name5-[(2-methylquinolin-8-yl)amino]pyridine-2-carbonitrile
SMILESCc1ccc2cccc(Nc3ccc(C#N)nc3)c2n1
InChIInChI=1S/C16H12N4/c1-11-5-6-12-3-2-4-15(16(12)19-11)20-14-8-7-13(9-17)18-10-14/h2-8,10,20H,1H3
InChIKeyPGIFJRIQROKNJU-UHFFFAOYSA-N
XLogP3.55
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylquinolin-8-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(2-methylquinolin-8-yl)amino]pyridine-2-carbonitrile (CID 115487676) is 5-[(2-methylquinolin-8-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(2-methylquinolin-8-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(2-methylquinolin-8-yl)amino]pyridine-2-carbonitrile is Cc1ccc2cccc(Nc3ccc(C#N)nc3)c2n1.
What is the InChIKey of 5-[(2-methylquinolin-8-yl)amino]pyridine-2-carbonitrile?
The InChIKey is PGIFJRIQROKNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-11-5-6-12-3-2-4-15(16(12)19-11)20-14-8-7-13(9-17)18-10-14/h2-8,10,20H,1H3.
What are the key properties of 5-[(2-methylquinolin-8-yl)amino]pyridine-2-carbonitrile?
5-[(2-methylquinolin-8-yl)amino]pyridine-2-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylquinolin-8-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 115487676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).