4-amino-5-methyl-2-methylsulfanyl-7-oxo-8H-1,8-naphthyridine-3-carbonitrile

C11H10N4OS — CID 139236400

IUPAC4-amino-5-methyl-2-methylsulfanyl-7-oxo-8H-1,8-naphthyridine-3-carbonitrile
SMILESCSc1nc2[nH]c(=O)cc(C)c2c(N)c1C#N
InChIInChI=1S/C11H10N4OS/c1-5-3-7(16)14-10-8(5)9(13)6(4-12)11(15-10)17-2/h3H,1-2H3,(H3,13,14,15,16)
InChIKeyZHECJLRFHVRAHG-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.41
Rot. Bonds1

About 4-amino-5-methyl-2-methylsulfanyl-7-oxo-8H-1,8-naphthyridine-3-carbonitrile

4-amino-5-methyl-2-methylsulfanyl-7-oxo-8H-1,8-naphthyridine-3-carbonitrile (PubChem CID 139236400) has the molecular formula C11H10N4OS and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-amino-5-methyl-2-methylsulfanyl-7-oxo-8H-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-methyl-2-methylsulfanyl-7-oxo-8H-1,8-naphthyridine-3-carbonitrile
PubChem CID139236400
Molecular FormulaC11H10N4OS
Molecular Weight246.29 g/mol
Exact Mass246.06
IUPAC Name4-amino-5-methyl-2-methylsulfanyl-7-oxo-8H-1,8-naphthyridine-3-carbonitrile
SMILESCSc1nc2[nH]c(=O)cc(C)c2c(N)c1C#N
InChIInChI=1S/C11H10N4OS/c1-5-3-7(16)14-10-8(5)9(13)6(4-12)11(15-10)17-2/h3H,1-2H3,(H3,13,14,15,16)
InChIKeyZHECJLRFHVRAHG-UHFFFAOYSA-N
XLogP1.41
TPSA95.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-2-methylsulfanyl-7-oxo-8H-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 4-amino-5-methyl-2-methylsulfanyl-7-oxo-8H-1,8-naphthyridine-3-carbonitrile (CID 139236400) is 4-amino-5-methyl-2-methylsulfanyl-7-oxo-8H-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-5-methyl-2-methylsulfanyl-7-oxo-8H-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-amino-5-methyl-2-methylsulfanyl-7-oxo-8H-1,8-naphthyridine-3-carbonitrile is CSc1nc2[nH]c(=O)cc(C)c2c(N)c1C#N.
What is the InChIKey of 4-amino-5-methyl-2-methylsulfanyl-7-oxo-8H-1,8-naphthyridine-3-carbonitrile?
The InChIKey is ZHECJLRFHVRAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c1-5-3-7(16)14-10-8(5)9(13)6(4-12)11(15-10)17-2/h3H,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-amino-5-methyl-2-methylsulfanyl-7-oxo-8H-1,8-naphthyridine-3-carbonitrile?
4-amino-5-methyl-2-methylsulfanyl-7-oxo-8H-1,8-naphthyridine-3-carbonitrile has a molecular weight of 246.29 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-2-methylsulfanyl-7-oxo-8H-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 139236400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).