N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide

C16H10N6O2S2 — CID 134043002

IUPACN-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
SMILESO=C(NCc1nc(-c2ccncc2)no1)c1cc2c(nc3sccn32)s1
InChIInChI=1S/C16H10N6O2S2/c23-14(11-7-10-15(26-11)20-16-22(10)5-6-25-16)18-8-12-19-13(21-24-12)9-1-3-17-4-2-9/h1-7H,8H2,(H,18,23)
InChIKeyXHUUMGLAEGFHSP-UHFFFAOYSA-N
MW382.43 g/mol
LogP2.99
Rot. Bonds4

About N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide

N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide (PubChem CID 134043002) has the molecular formula C16H10N6O2S2 and a molecular weight of 382.43 g/mol. Its IUPAC name is N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide.

Molecular Properties

Compound NameN-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
PubChem CID134043002
Molecular FormulaC16H10N6O2S2
Molecular Weight382.43 g/mol
Exact Mass382.03
IUPAC NameN-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
SMILESO=C(NCc1nc(-c2ccncc2)no1)c1cc2c(nc3sccn32)s1
InChIInChI=1S/C16H10N6O2S2/c23-14(11-7-10-15(26-11)20-16-22(10)5-6-25-16)18-8-12-19-13(21-24-12)9-1-3-17-4-2-9/h1-7H,8H2,(H,18,23)
InChIKeyXHUUMGLAEGFHSP-UHFFFAOYSA-N
XLogP2.99
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide with MolForge

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Related Compounds

N-[(2-methoxyphenyl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 32736162
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
CID 69190964
5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxylate
CID 7063408
N-(4-hydroxy-2-methylbutyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 66106883
N-[[3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
CID 53172668
4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 78839044
1-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 78849325
6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 78861696
N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 119104925
3,5-dimethyl-4-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 134043017
N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 55437872
3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 134042967

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide?
The IUPAC name of N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide (CID 134043002) is N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide.
What is the SMILES notation for N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide?
The canonical SMILES for N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide is O=C(NCc1nc(-c2ccncc2)no1)c1cc2c(nc3sccn32)s1.
What is the InChIKey of N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide?
The InChIKey is XHUUMGLAEGFHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6O2S2/c23-14(11-7-10-15(26-11)20-16-22(10)5-6-25-16)18-8-12-19-13(21-24-12)9-1-3-17-4-2-9/h1-7H,8H2,(H,18,23).
What are the key properties of N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide?
N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide has a molecular weight of 382.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide is sourced from PubChem (CID 134043002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).