4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

C13H12N4O3S — CID 155467646

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCS(=O)(=O)CC2)c2ccncc2[nH]c1=O
InChIInChI=1S/C13H12N4O3S/c14-7-10-12(17-3-5-21(19,20)6-4-17)9-1-2-15-8-11(9)16-13(10)18/h1-2,8H,3-6H2,(H,16,18)
InChIKeyVATDWGOMOISAFG-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.03
Rot. Bonds1

About 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 155467646) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID155467646
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCS(=O)(=O)CC2)c2ccncc2[nH]c1=O
InChIInChI=1S/C13H12N4O3S/c14-7-10-12(17-3-5-21(19,20)6-4-17)9-1-2-15-8-11(9)16-13(10)18/h1-2,8H,3-6H2,(H,16,18)
InChIKeyVATDWGOMOISAFG-UHFFFAOYSA-N
XLogP0.03
TPSA106.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 155467646) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is N#Cc1c(N2CCS(=O)(=O)CC2)c2ccncc2[nH]c1=O.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is VATDWGOMOISAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c14-7-10-12(17-3-5-21(19,20)6-4-17)9-1-2-15-8-11(9)16-13(10)18/h1-2,8H,3-6H2,(H,16,18).
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 304.33 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 155467646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).