3-amino-4-(1,2,3,4-tetrahydroquinolin-4-yl)pyridine-2-carbonitrile

C15H14N4 — CID 90428555

IUPAC3-amino-4-(1,2,3,4-tetrahydroquinolin-4-yl)pyridine-2-carbonitrile
SMILESN#Cc1nccc(C2CCNc3ccccc32)c1N
InChIInChI=1S/C15H14N4/c16-9-14-15(17)12(6-8-19-14)10-5-7-18-13-4-2-1-3-11(10)13/h1-4,6,8,10,18H,5,7,17H2
InChIKeyAIBYTNQERSVPBW-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.48
Rot. Bonds1

About 3-amino-4-(1,2,3,4-tetrahydroquinolin-4-yl)pyridine-2-carbonitrile

3-amino-4-(1,2,3,4-tetrahydroquinolin-4-yl)pyridine-2-carbonitrile (PubChem CID 90428555) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-amino-4-(1,2,3,4-tetrahydroquinolin-4-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-(1,2,3,4-tetrahydroquinolin-4-yl)pyridine-2-carbonitrile
PubChem CID90428555
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name3-amino-4-(1,2,3,4-tetrahydroquinolin-4-yl)pyridine-2-carbonitrile
SMILESN#Cc1nccc(C2CCNc3ccccc32)c1N
InChIInChI=1S/C15H14N4/c16-9-14-15(17)12(6-8-19-14)10-5-7-18-13-4-2-1-3-11(10)13/h1-4,6,8,10,18H,5,7,17H2
InChIKeyAIBYTNQERSVPBW-UHFFFAOYSA-N
XLogP2.48
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1,2,3,4-tetrahydroquinolin-4-yl)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-4-(1,2,3,4-tetrahydroquinolin-4-yl)pyridine-2-carbonitrile (CID 90428555) is 3-amino-4-(1,2,3,4-tetrahydroquinolin-4-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-4-(1,2,3,4-tetrahydroquinolin-4-yl)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-4-(1,2,3,4-tetrahydroquinolin-4-yl)pyridine-2-carbonitrile is N#Cc1nccc(C2CCNc3ccccc32)c1N.
What is the InChIKey of 3-amino-4-(1,2,3,4-tetrahydroquinolin-4-yl)pyridine-2-carbonitrile?
The InChIKey is AIBYTNQERSVPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-9-14-15(17)12(6-8-19-14)10-5-7-18-13-4-2-1-3-11(10)13/h1-4,6,8,10,18H,5,7,17H2.
What are the key properties of 3-amino-4-(1,2,3,4-tetrahydroquinolin-4-yl)pyridine-2-carbonitrile?
3-amino-4-(1,2,3,4-tetrahydroquinolin-4-yl)pyridine-2-carbonitrile has a molecular weight of 250.31 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1,2,3,4-tetrahydroquinolin-4-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 90428555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).