5-N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-2,5-dicarboxamide

C21H21ClN6O4S — CID 167405101

IUPAC5-N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2nnc(OCc3ccc(Cl)cc3)s2)c(N2CCC(O)CC2)n1
InChIInChI=1S/C21H21ClN6O4S/c22-13-3-1-12(2-4-13)11-32-21-27-26-20(33-21)25-19(31)15-5-6-16(17(23)30)24-18(15)28-9-7-14(29)8-10-28/h1-6,14,29H,7-11H2,(H2,23,30)(H,25,26,31)
InChIKeyNGBMWUNHFKBHIC-UHFFFAOYSA-N
MW488.96 g/mol
LogP2.48
Rot. Bonds7

About 5-N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-2,5-dicarboxamide

5-N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-2,5-dicarboxamide (PubChem CID 167405101) has the molecular formula C21H21ClN6O4S and a molecular weight of 488.96 g/mol. Its IUPAC name is 5-N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-2,5-dicarboxamide
PubChem CID167405101
Molecular FormulaC21H21ClN6O4S
Molecular Weight488.96 g/mol
Exact Mass488.10
IUPAC Name5-N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2nnc(OCc3ccc(Cl)cc3)s2)c(N2CCC(O)CC2)n1
InChIInChI=1S/C21H21ClN6O4S/c22-13-3-1-12(2-4-13)11-32-21-27-26-20(33-21)25-19(31)15-5-6-16(17(23)30)24-18(15)28-9-7-14(29)8-10-28/h1-6,14,29H,7-11H2,(H2,23,30)(H,25,26,31)
InChIKeyNGBMWUNHFKBHIC-UHFFFAOYSA-N
XLogP2.48
TPSA143.56 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.96
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-2,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-2,5-dicarboxamide (CID 167405101) is 5-N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-2,5-dicarboxamide is NC(=O)c1ccc(C(=O)Nc2nnc(OCc3ccc(Cl)cc3)s2)c(N2CCC(O)CC2)n1.
What is the InChIKey of 5-N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-2,5-dicarboxamide?
The InChIKey is NGBMWUNHFKBHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O4S/c22-13-3-1-12(2-4-13)11-32-21-27-26-20(33-21)25-19(31)15-5-6-16(17(23)30)24-18(15)28-9-7-14(29)8-10-28/h1-6,14,29H,7-11H2,(H2,23,30)(H,25,26,31).
What are the key properties of 5-N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-2,5-dicarboxamide?
5-N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-2,5-dicarboxamide has a molecular weight of 488.96 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 167405101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).