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

C16H15N3 — CID 102545068

IUPAC6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylpyridine-3-carbonitrile
SMILESCc1cc(C#N)cnc1N1CCCc2ccccc21
InChIInChI=1S/C16H15N3/c1-12-9-13(10-17)11-18-16(12)19-8-4-6-14-5-2-3-7-15(14)19/h2-3,5,7,9,11H,4,6,8H2,1H3
InChIKeyFDPDTVZHVBEZCJ-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.35
Rot. Bonds1

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

6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylpyridine-3-carbonitrile (PubChem CID 102545068) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylpyridine-3-carbonitrile
PubChem CID102545068
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylpyridine-3-carbonitrile
SMILESCc1cc(C#N)cnc1N1CCCc2ccccc21
InChIInChI=1S/C16H15N3/c1-12-9-13(10-17)11-18-16(12)19-8-4-6-14-5-2-3-7-15(14)19/h2-3,5,7,9,11H,4,6,8H2,1H3
InChIKeyFDPDTVZHVBEZCJ-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5587
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Bisanilinopyrimidine, 6g
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2-{4-[3-(6-Methylpyridin-2-yl)prop-2-ynylidene]piperidin-1-yl}-5-phenylnicotinonitrile
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2-Amino-6-phenyl-4-pyridin-3-ylpyridine-3-carbonitrile
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2-Amino-5-methyl-6-phenyl-4-pyridin-3-ylpyridine-3-carbonitrile
CID 938116
N,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline
CID 5342813
1-(3-Phenylpropyl)-4-pyridin-2-ylpiperazine
CID 667735
2-Amino-6-methyl-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3835861
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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylpyridine-3-carbonitrile (CID 102545068) is 6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylpyridine-3-carbonitrile is Cc1cc(C#N)cnc1N1CCCc2ccccc21.
What is the InChIKey of 6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylpyridine-3-carbonitrile?
The InChIKey is FDPDTVZHVBEZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-12-9-13(10-17)11-18-16(12)19-8-4-6-14-5-2-3-7-15(14)19/h2-3,5,7,9,11H,4,6,8H2,1H3.
What are the key properties of 6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylpyridine-3-carbonitrile?
6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylpyridine-3-carbonitrile has a molecular weight of 249.32 g/mol, XLogP of 3.35, 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-2H-quinolin-1-yl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 102545068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).