4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile

C15H14N4 — CID 114524411

IUPAC4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCc3cccc(N)c3C2)ccn1
InChIInChI=1S/C15H14N4/c16-9-12-8-13(4-6-18-12)19-7-5-11-2-1-3-15(17)14(11)10-19/h1-4,6,8H,5,7,10,17H2
InChIKeyVHTCSCMSXQFAOE-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.10
Rot. Bonds1

About 4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile

4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile (PubChem CID 114524411) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile
PubChem CID114524411
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCc3cccc(N)c3C2)ccn1
InChIInChI=1S/C15H14N4/c16-9-12-8-13(4-6-18-12)19-7-5-11-2-1-3-15(17)14(11)10-19/h1-4,6,8H,5,7,10,17H2
InChIKeyVHTCSCMSXQFAOE-UHFFFAOYSA-N
XLogP2.10
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbenzonitrile
CID 114524492
2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524293
2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-6-bromobenzonitrile
CID 114885032
4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 47092348
2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-6-methylsulfanylbenzonitrile
CID 114524382
4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride
CID 154825612
4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 63594687
2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524429
2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 106504531
4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile
CID 55211755
4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
CID 62492159
2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524521

Frequently Asked Questions

What is the IUPAC name of 4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile (CID 114524411) is 4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile is N#Cc1cc(N2CCc3cccc(N)c3C2)ccn1.
What is the InChIKey of 4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile?
The InChIKey is VHTCSCMSXQFAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-9-12-8-13(4-6-18-12)19-7-5-11-2-1-3-15(17)14(11)10-19/h1-4,6,8H,5,7,10,17H2.
What are the key properties of 4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile?
4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile has a molecular weight of 250.31 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 114524411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).