2,6-dimethyl-4-naphthalen-1-yl-1,4-dihydropyridine-3,5-dicarbonitrile

C19H15N3 — CID 4523940

IUPAC2,6-dimethyl-4-naphthalen-1-yl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2cccc3ccccc23)C(C#N)=C(C)N1
InChIInChI=1S/C19H15N3/c1-12-17(10-20)19(18(11-21)13(2)22-12)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,19,22H,1-2H3
InChIKeyNGAVICMMOPWWCX-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.12
Rot. Bonds1

About 2,6-dimethyl-4-naphthalen-1-yl-1,4-dihydropyridine-3,5-dicarbonitrile

2,6-dimethyl-4-naphthalen-1-yl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 4523940) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2,6-dimethyl-4-naphthalen-1-yl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-naphthalen-1-yl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID4523940
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name2,6-dimethyl-4-naphthalen-1-yl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2cccc3ccccc23)C(C#N)=C(C)N1
InChIInChI=1S/C19H15N3/c1-12-17(10-20)19(18(11-21)13(2)22-12)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,19,22H,1-2H3
InChIKeyNGAVICMMOPWWCX-UHFFFAOYSA-N
XLogP4.12
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-naphthalen-1-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dimethyl-4-naphthalen-1-yl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 4523940) is 2,6-dimethyl-4-naphthalen-1-yl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-naphthalen-1-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dimethyl-4-naphthalen-1-yl-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2cccc3ccccc23)C(C#N)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-naphthalen-1-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is NGAVICMMOPWWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-12-17(10-20)19(18(11-21)13(2)22-12)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,19,22H,1-2H3.
What are the key properties of 2,6-dimethyl-4-naphthalen-1-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
2,6-dimethyl-4-naphthalen-1-yl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 285.35 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-naphthalen-1-yl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 4523940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).