6-(1-phenylpropoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C22H19N5O2S — CID 121407476

IUPAC6-(1-phenylpropoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCC(Oc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)cn1)c1ccccc1
InChIInChI=1S/C22H19N5O2S/c1-2-18(15-6-4-3-5-7-15)29-19-9-8-17(14-24-19)20(28)25-22-27-26-21(30-22)16-10-12-23-13-11-16/h3-14,18H,2H2,1H3,(H,25,27,28)
InChIKeyUFOORZVHUYGGRA-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.78
Rot. Bonds7

About 6-(1-phenylpropoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-(1-phenylpropoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 121407476) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is 6-(1-phenylpropoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1-phenylpropoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID121407476
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC Name6-(1-phenylpropoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCC(Oc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)cn1)c1ccccc1
InChIInChI=1S/C22H19N5O2S/c1-2-18(15-6-4-3-5-7-15)29-19-9-8-17(14-24-19)20(28)25-22-27-26-21(30-22)16-10-12-23-13-11-16/h3-14,18H,2H2,1H3,(H,25,27,28)
InChIKeyUFOORZVHUYGGRA-UHFFFAOYSA-N
XLogP4.78
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylpropoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(1-phenylpropoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 121407476) is 6-(1-phenylpropoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(1-phenylpropoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(1-phenylpropoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CCC(Oc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)cn1)c1ccccc1.
What is the InChIKey of 6-(1-phenylpropoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is UFOORZVHUYGGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S/c1-2-18(15-6-4-3-5-7-15)29-19-9-8-17(14-24-19)20(28)25-22-27-26-21(30-22)16-10-12-23-13-11-16/h3-14,18H,2H2,1H3,(H,25,27,28).
What are the key properties of 6-(1-phenylpropoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-(1-phenylpropoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylpropoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121407476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).