2-(5-methyl-6,7-dihydronaphthalen-1-yl)-3,4-dihydropyridine

C16H17N — CID 70925258

IUPAC2-(5-methyl-6,7-dihydronaphthalen-1-yl)-3,4-dihydropyridine
SMILESCC1=c2cccc(C3=NC=CCC3)c2=CCC1
InChIInChI=1S/C16H17N/c1-12-6-4-8-14-13(12)7-5-9-15(14)16-10-2-3-11-17-16/h3,5,7-9,11H,2,4,6,10H2,1H3
InChIKeyNGXRQCALRDVNLD-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.53
Rot. Bonds1

About 2-(5-methyl-6,7-dihydronaphthalen-1-yl)-3,4-dihydropyridine

2-(5-methyl-6,7-dihydronaphthalen-1-yl)-3,4-dihydropyridine (PubChem CID 70925258) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(5-methyl-6,7-dihydronaphthalen-1-yl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2-(5-methyl-6,7-dihydronaphthalen-1-yl)-3,4-dihydropyridine
PubChem CID70925258
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-(5-methyl-6,7-dihydronaphthalen-1-yl)-3,4-dihydropyridine
SMILESCC1=c2cccc(C3=NC=CCC3)c2=CCC1
InChIInChI=1S/C16H17N/c1-12-6-4-8-14-13(12)7-5-9-15(14)16-10-2-3-11-17-16/h3,5,7-9,11H,2,4,6,10H2,1H3
InChIKeyNGXRQCALRDVNLD-UHFFFAOYSA-N
XLogP2.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 129652699
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CID 21888127
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CID 57629436
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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-6,7-dihydronaphthalen-1-yl)-3,4-dihydropyridine?
The IUPAC name of 2-(5-methyl-6,7-dihydronaphthalen-1-yl)-3,4-dihydropyridine (CID 70925258) is 2-(5-methyl-6,7-dihydronaphthalen-1-yl)-3,4-dihydropyridine.
What is the SMILES notation for 2-(5-methyl-6,7-dihydronaphthalen-1-yl)-3,4-dihydropyridine?
The canonical SMILES for 2-(5-methyl-6,7-dihydronaphthalen-1-yl)-3,4-dihydropyridine is CC1=c2cccc(C3=NC=CCC3)c2=CCC1.
What is the InChIKey of 2-(5-methyl-6,7-dihydronaphthalen-1-yl)-3,4-dihydropyridine?
The InChIKey is NGXRQCALRDVNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-12-6-4-8-14-13(12)7-5-9-15(14)16-10-2-3-11-17-16/h3,5,7-9,11H,2,4,6,10H2,1H3.
What are the key properties of 2-(5-methyl-6,7-dihydronaphthalen-1-yl)-3,4-dihydropyridine?
2-(5-methyl-6,7-dihydronaphthalen-1-yl)-3,4-dihydropyridine has a molecular weight of 223.32 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-6,7-dihydronaphthalen-1-yl)-3,4-dihydropyridine is sourced from PubChem (CID 70925258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).