(10R)-12-amino-4-(methylamino)-8-oxo-10-pyridin-3-yl-13-oxa-3-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-5,11-dicarbonitrile

C18H12N6O2S — CID 26415192

IUPAC(10R)-12-amino-4-(methylamino)-8-oxo-10-pyridin-3-yl-13-oxa-3-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-5,11-dicarbonitrile
SMILESCNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@H](c1cccnc1)C(C#N)=C(N)O3
InChIInChI=1S/C18H12N6O2S/c1-22-18-10(6-20)13-15(27-18)14-12(17(25)24-13)11(8-3-2-4-23-7-8)9(5-19)16(21)26-14/h2-4,7,11,22H,21H2,1H3,(H,24,25)/t11-/m1/s1
InChIKeySTDSSQSYSCDWFI-LLVKDONJSA-N
MW376.40 g/mol
LogP2.12
Rot. Bonds2

About (10R)-12-amino-4-(methylamino)-8-oxo-10-pyridin-3-yl-13-oxa-3-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-5,11-dicarbonitrile

(10R)-12-amino-4-(methylamino)-8-oxo-10-pyridin-3-yl-13-oxa-3-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-5,11-dicarbonitrile (PubChem CID 26415192) has the molecular formula C18H12N6O2S and a molecular weight of 376.40 g/mol. Its IUPAC name is (10R)-12-amino-4-(methylamino)-8-oxo-10-pyridin-3-yl-13-oxa-3-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-5,11-dicarbonitrile.

Molecular Properties

Compound Name(10R)-12-amino-4-(methylamino)-8-oxo-10-pyridin-3-yl-13-oxa-3-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-5,11-dicarbonitrile
PubChem CID26415192
Molecular FormulaC18H12N6O2S
Molecular Weight376.40 g/mol
Exact Mass376.07
IUPAC Name(10R)-12-amino-4-(methylamino)-8-oxo-10-pyridin-3-yl-13-oxa-3-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-5,11-dicarbonitrile
SMILESCNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@H](c1cccnc1)C(C#N)=C(N)O3
InChIInChI=1S/C18H12N6O2S/c1-22-18-10(6-20)13-15(27-18)14-12(17(25)24-13)11(8-3-2-4-23-7-8)9(5-19)16(21)26-14/h2-4,7,11,22H,21H2,1H3,(H,24,25)/t11-/m1/s1
InChIKeySTDSSQSYSCDWFI-LLVKDONJSA-N
XLogP2.12
TPSA140.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (10R)-12-amino-4-(methylamino)-8-oxo-10-pyridin-3-yl-13-oxa-3-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-5,11-dicarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10R)-12-amino-4-(methylamino)-8-oxo-10-pyridin-3-yl-13-oxa-3-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-5,11-dicarbonitrile?
The IUPAC name of (10R)-12-amino-4-(methylamino)-8-oxo-10-pyridin-3-yl-13-oxa-3-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-5,11-dicarbonitrile (CID 26415192) is (10R)-12-amino-4-(methylamino)-8-oxo-10-pyridin-3-yl-13-oxa-3-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-5,11-dicarbonitrile.
What is the SMILES notation for (10R)-12-amino-4-(methylamino)-8-oxo-10-pyridin-3-yl-13-oxa-3-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-5,11-dicarbonitrile?
The canonical SMILES for (10R)-12-amino-4-(methylamino)-8-oxo-10-pyridin-3-yl-13-oxa-3-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-5,11-dicarbonitrile is CNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@H](c1cccnc1)C(C#N)=C(N)O3.
What is the InChIKey of (10R)-12-amino-4-(methylamino)-8-oxo-10-pyridin-3-yl-13-oxa-3-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-5,11-dicarbonitrile?
The InChIKey is STDSSQSYSCDWFI-LLVKDONJSA-N. The full InChI is InChI=1S/C18H12N6O2S/c1-22-18-10(6-20)13-15(27-18)14-12(17(25)24-13)11(8-3-2-4-23-7-8)9(5-19)16(21)26-14/h2-4,7,11,22H,21H2,1H3,(H,24,25)/t11-/m1/s1.
What are the key properties of (10R)-12-amino-4-(methylamino)-8-oxo-10-pyridin-3-yl-13-oxa-3-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-5,11-dicarbonitrile?
(10R)-12-amino-4-(methylamino)-8-oxo-10-pyridin-3-yl-13-oxa-3-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-5,11-dicarbonitrile has a molecular weight of 376.40 g/mol, XLogP of 2.12, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-12-amino-4-(methylamino)-8-oxo-10-pyridin-3-yl-13-oxa-3-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-5,11-dicarbonitrile is sourced from PubChem (CID 26415192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).