4-(2-phenothiazin-10-ylphenyl)-3,4-dihydropyridine-6-carbonitrile

C24H17N3S — CID 146538292

IUPAC4-(2-phenothiazin-10-ylphenyl)-3,4-dihydropyridine-6-carbonitrile
SMILESN#CC1=CC(c2ccccc2N2c3ccccc3Sc3ccccc32)CC=N1
InChIInChI=1S/C24H17N3S/c25-16-18-15-17(13-14-26-18)19-7-1-2-8-20(19)27-21-9-3-5-11-23(21)28-24-12-6-4-10-22(24)27/h1-12,14-15,17H,13H2
InChIKeyPYLKUIUYFBQTGA-UHFFFAOYSA-N
MW379.49 g/mol
LogP6.59
Rot. Bonds2

About 4-(2-phenothiazin-10-ylphenyl)-3,4-dihydropyridine-6-carbonitrile

4-(2-phenothiazin-10-ylphenyl)-3,4-dihydropyridine-6-carbonitrile (PubChem CID 146538292) has the molecular formula C24H17N3S and a molecular weight of 379.49 g/mol. Its IUPAC name is 4-(2-phenothiazin-10-ylphenyl)-3,4-dihydropyridine-6-carbonitrile.

Molecular Properties

Compound Name4-(2-phenothiazin-10-ylphenyl)-3,4-dihydropyridine-6-carbonitrile
PubChem CID146538292
Molecular FormulaC24H17N3S
Molecular Weight379.49 g/mol
Exact Mass379.11
IUPAC Name4-(2-phenothiazin-10-ylphenyl)-3,4-dihydropyridine-6-carbonitrile
SMILESN#CC1=CC(c2ccccc2N2c3ccccc3Sc3ccccc32)CC=N1
InChIInChI=1S/C24H17N3S/c25-16-18-15-17(13-14-26-18)19-7-1-2-8-20(19)27-21-9-3-5-11-23(21)28-24-12-6-4-10-22(24)27/h1-12,14-15,17H,13H2
InChIKeyPYLKUIUYFBQTGA-UHFFFAOYSA-N
XLogP6.59
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.49
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenothiazin-10-ylphenyl)-3,4-dihydropyridine-6-carbonitrile?
The IUPAC name of 4-(2-phenothiazin-10-ylphenyl)-3,4-dihydropyridine-6-carbonitrile (CID 146538292) is 4-(2-phenothiazin-10-ylphenyl)-3,4-dihydropyridine-6-carbonitrile.
What is the SMILES notation for 4-(2-phenothiazin-10-ylphenyl)-3,4-dihydropyridine-6-carbonitrile?
The canonical SMILES for 4-(2-phenothiazin-10-ylphenyl)-3,4-dihydropyridine-6-carbonitrile is N#CC1=CC(c2ccccc2N2c3ccccc3Sc3ccccc32)CC=N1.
What is the InChIKey of 4-(2-phenothiazin-10-ylphenyl)-3,4-dihydropyridine-6-carbonitrile?
The InChIKey is PYLKUIUYFBQTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3S/c25-16-18-15-17(13-14-26-18)19-7-1-2-8-20(19)27-21-9-3-5-11-23(21)28-24-12-6-4-10-22(24)27/h1-12,14-15,17H,13H2.
What are the key properties of 4-(2-phenothiazin-10-ylphenyl)-3,4-dihydropyridine-6-carbonitrile?
4-(2-phenothiazin-10-ylphenyl)-3,4-dihydropyridine-6-carbonitrile has a molecular weight of 379.49 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenothiazin-10-ylphenyl)-3,4-dihydropyridine-6-carbonitrile is sourced from PubChem (CID 146538292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).