2-butan-2-yloxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide

C13H16N4O2S — CID 84597901

IUPAC2-butan-2-yloxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
SMILESCCC(C)Oc1cc(C(=O)Nc2nc(C)ns2)ccn1
InChIInChI=1S/C13H16N4O2S/c1-4-8(2)19-11-7-10(5-6-14-11)12(18)16-13-15-9(3)17-20-13/h5-8H,4H2,1-3H3,(H,15,16,17,18)
InChIKeyMRXSWSNTGJFHQG-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.67
Rot. Bonds5

About 2-butan-2-yloxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide

2-butan-2-yloxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide (PubChem CID 84597901) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-butan-2-yloxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-butan-2-yloxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
PubChem CID84597901
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-butan-2-yloxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
SMILESCCC(C)Oc1cc(C(=O)Nc2nc(C)ns2)ccn1
InChIInChI=1S/C13H16N4O2S/c1-4-8(2)19-11-7-10(5-6-14-11)12(18)16-13-15-9(3)17-20-13/h5-8H,4H2,1-3H3,(H,15,16,17,18)
InChIKeyMRXSWSNTGJFHQG-UHFFFAOYSA-N
XLogP2.67
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2-butan-2-yloxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide (CID 84597901) is 2-butan-2-yloxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-butan-2-yloxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-butan-2-yloxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide is CCC(C)Oc1cc(C(=O)Nc2nc(C)ns2)ccn1.
What is the InChIKey of 2-butan-2-yloxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide?
The InChIKey is MRXSWSNTGJFHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-4-8(2)19-11-7-10(5-6-14-11)12(18)16-13-15-9(3)17-20-13/h5-8H,4H2,1-3H3,(H,15,16,17,18).
What are the key properties of 2-butan-2-yloxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide?
2-butan-2-yloxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 84597901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).