6-methyl-2-[(3-methylphenyl)methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

C18H19N3S — CID 912304

IUPAC6-methyl-2-[(3-methylphenyl)methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCc1cccc(CSc2nc3c(cc2C#N)CN(C)CC3)c1
InChIInChI=1S/C18H19N3S/c1-13-4-3-5-14(8-13)12-22-18-15(10-19)9-16-11-21(2)7-6-17(16)20-18/h3-5,8-9H,6-7,11-12H2,1-2H3
InChIKeyUYUXSYPCRYPMPS-UHFFFAOYSA-N
MW309.44 g/mol
LogP3.54
Rot. Bonds3

About 6-methyl-2-[(3-methylphenyl)methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

6-methyl-2-[(3-methylphenyl)methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (PubChem CID 912304) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 6-methyl-2-[(3-methylphenyl)methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[(3-methylphenyl)methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
PubChem CID912304
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name6-methyl-2-[(3-methylphenyl)methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCc1cccc(CSc2nc3c(cc2C#N)CN(C)CC3)c1
InChIInChI=1S/C18H19N3S/c1-13-4-3-5-14(8-13)12-22-18-15(10-19)9-16-11-21(2)7-6-17(16)20-18/h3-5,8-9H,6-7,11-12H2,1-2H3
InChIKeyUYUXSYPCRYPMPS-UHFFFAOYSA-N
XLogP3.54
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3-methylphenyl)methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-[(3-methylphenyl)methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (CID 912304) is 6-methyl-2-[(3-methylphenyl)methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-[(3-methylphenyl)methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-[(3-methylphenyl)methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is Cc1cccc(CSc2nc3c(cc2C#N)CN(C)CC3)c1.
What is the InChIKey of 6-methyl-2-[(3-methylphenyl)methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is UYUXSYPCRYPMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-13-4-3-5-14(8-13)12-22-18-15(10-19)9-16-11-21(2)7-6-17(16)20-18/h3-5,8-9H,6-7,11-12H2,1-2H3.
What are the key properties of 6-methyl-2-[(3-methylphenyl)methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
6-methyl-2-[(3-methylphenyl)methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 309.44 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3-methylphenyl)methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 912304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).