4-(furan-2-yl)-6-methyl-2-methylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

C15H15N3OS — CID 23475978

IUPAC4-(furan-2-yl)-6-methyl-2-methylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCSc1nc2c(c(-c3ccco3)c1C#N)CN(C)CC2
InChIInChI=1S/C15H15N3OS/c1-18-6-5-12-11(9-18)14(13-4-3-7-19-13)10(8-16)15(17-12)20-2/h3-4,7H,5-6,9H2,1-2H3
InChIKeyVTOMQNMDJOLBRJ-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.92
Rot. Bonds2

About 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

4-(furan-2-yl)-6-methyl-2-methylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (PubChem CID 23475978) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-yl)-6-methyl-2-methylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
PubChem CID23475978
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-(furan-2-yl)-6-methyl-2-methylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCSc1nc2c(c(-c3ccco3)c1C#N)CN(C)CC2
InChIInChI=1S/C15H15N3OS/c1-18-6-5-12-11(9-18)14(13-4-3-7-19-13)10(8-16)15(17-12)20-2/h3-4,7H,5-6,9H2,1-2H3
InChIKeyVTOMQNMDJOLBRJ-UHFFFAOYSA-N
XLogP2.92
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (CID 23475978) is 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is CSc1nc2c(c(-c3ccco3)c1C#N)CN(C)CC2.
What is the InChIKey of 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is VTOMQNMDJOLBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-18-6-5-12-11(9-18)14(13-4-3-7-19-13)10(8-16)15(17-12)20-2/h3-4,7H,5-6,9H2,1-2H3.
What are the key properties of 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
4-(furan-2-yl)-6-methyl-2-methylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 285.37 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-6-methyl-2-methylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 23475978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).