2-N,6-N-bis(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide

C13H11N7O2S2 — CID 2911801

IUPAC2-N,6-N-bis(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide
SMILESCc1nnc(NC(=O)c2cccc(C(=O)Nc3nnc(C)s3)n2)s1
InChIInChI=1S/C13H11N7O2S2/c1-6-17-19-12(23-6)15-10(21)8-4-3-5-9(14-8)11(22)16-13-20-18-7(2)24-13/h3-5H,1-2H3,(H,15,19,21)(H,16,20,22)
InChIKeyPSELXRGQJFFQPO-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.91
Rot. Bonds4

About 2-N,6-N-bis(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide (PubChem CID 2911801) has the molecular formula C13H11N7O2S2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-N,6-N-bis(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide
PubChem CID2911801
Molecular FormulaC13H11N7O2S2
Molecular Weight361.41 g/mol
Exact Mass361.04
IUPAC Name2-N,6-N-bis(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide
SMILESCc1nnc(NC(=O)c2cccc(C(=O)Nc3nnc(C)s3)n2)s1
InChIInChI=1S/C13H11N7O2S2/c1-6-17-19-12(23-6)15-10(21)8-4-3-5-9(14-8)11(22)16-13-20-18-7(2)24-13/h3-5H,1-2H3,(H,15,19,21)(H,16,20,22)
InChIKeyPSELXRGQJFFQPO-UHFFFAOYSA-N
XLogP1.91
TPSA122.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide (CID 2911801) is 2-N,6-N-bis(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide is Cc1nnc(NC(=O)c2cccc(C(=O)Nc3nnc(C)s3)n2)s1.
What is the InChIKey of 2-N,6-N-bis(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide?
The InChIKey is PSELXRGQJFFQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O2S2/c1-6-17-19-12(23-6)15-10(21)8-4-3-5-9(14-8)11(22)16-13-20-18-7(2)24-13/h3-5H,1-2H3,(H,15,19,21)(H,16,20,22).
What are the key properties of 2-N,6-N-bis(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide has a molecular weight of 361.41 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 2911801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).