2,6-dimethyl-4-naphthalen-2-yl-1,4-dihydropyridine

C17H17N — CID 141005269

IUPAC2,6-dimethyl-4-naphthalen-2-yl-1,4-dihydropyridine
SMILESCC1=CC(c2ccc3ccccc3c2)C=C(C)N1
InChIInChI=1S/C17H17N/c1-12-9-17(10-13(2)18-12)16-8-7-14-5-3-4-6-15(14)11-16/h3-11,17-18H,1-2H3
InChIKeyQBSHBPXQMKESGH-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.33
Rot. Bonds1

About 2,6-dimethyl-4-naphthalen-2-yl-1,4-dihydropyridine

2,6-dimethyl-4-naphthalen-2-yl-1,4-dihydropyridine (PubChem CID 141005269) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,6-dimethyl-4-naphthalen-2-yl-1,4-dihydropyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-naphthalen-2-yl-1,4-dihydropyridine
PubChem CID141005269
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name2,6-dimethyl-4-naphthalen-2-yl-1,4-dihydropyridine
SMILESCC1=CC(c2ccc3ccccc3c2)C=C(C)N1
InChIInChI=1S/C17H17N/c1-12-9-17(10-13(2)18-12)16-8-7-14-5-3-4-6-15(14)11-16/h3-11,17-18H,1-2H3
InChIKeyQBSHBPXQMKESGH-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-naphthalen-2-yl-1,4-dihydropyridine?
The IUPAC name of 2,6-dimethyl-4-naphthalen-2-yl-1,4-dihydropyridine (CID 141005269) is 2,6-dimethyl-4-naphthalen-2-yl-1,4-dihydropyridine.
What is the SMILES notation for 2,6-dimethyl-4-naphthalen-2-yl-1,4-dihydropyridine?
The canonical SMILES for 2,6-dimethyl-4-naphthalen-2-yl-1,4-dihydropyridine is CC1=CC(c2ccc3ccccc3c2)C=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-naphthalen-2-yl-1,4-dihydropyridine?
The InChIKey is QBSHBPXQMKESGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-12-9-17(10-13(2)18-12)16-8-7-14-5-3-4-6-15(14)11-16/h3-11,17-18H,1-2H3.
What are the key properties of 2,6-dimethyl-4-naphthalen-2-yl-1,4-dihydropyridine?
2,6-dimethyl-4-naphthalen-2-yl-1,4-dihydropyridine has a molecular weight of 235.33 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-naphthalen-2-yl-1,4-dihydropyridine is sourced from PubChem (CID 141005269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).