6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile

C16H15N3 — CID 102545053

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile
SMILESCc1cc(C#N)cnc1N1CCc2ccccc2C1
InChIInChI=1S/C16H15N3/c1-12-8-13(9-17)10-18-16(12)19-7-6-14-4-2-3-5-15(14)11-19/h2-5,8,10H,6-7,11H2,1H3
InChIKeyMPTAUKJZQYKNGG-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.82
Rot. Bonds1

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile

6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile (PubChem CID 102545053) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile
PubChem CID102545053
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile
SMILESCc1cc(C#N)cnc1N1CCc2ccccc2C1
InChIInChI=1S/C16H15N3/c1-12-8-13(9-17)10-18-16(12)19-7-6-14-4-2-3-5-15(14)11-19/h2-5,8,10H,6-7,11H2,1H3
InChIKeyMPTAUKJZQYKNGG-UHFFFAOYSA-N
XLogP2.82
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile (CID 102545053) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile is Cc1cc(C#N)cnc1N1CCc2ccccc2C1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile?
The InChIKey is MPTAUKJZQYKNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-12-8-13(9-17)10-18-16(12)19-7-6-14-4-2-3-5-15(14)11-19/h2-5,8,10H,6-7,11H2,1H3.
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile has a molecular weight of 249.32 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 102545053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).