4-piperidin-4-yloxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide

C18H18N6O2S — CID 122555393

IUPAC4-piperidin-4-yloxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)ns1)c1cc(OC2CCNCC2)ccn1
InChIInChI=1S/C18H18N6O2S/c25-17(23-18-22-16(24-27-18)14-3-1-2-7-20-14)15-11-13(6-10-21-15)26-12-4-8-19-9-5-12/h1-3,6-7,10-12,19H,4-5,8-9H2,(H,22,23,24,25)
InChIKeyRTRMDMOCSJLAQV-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.38
Rot. Bonds5

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

4-piperidin-4-yloxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide (PubChem CID 122555393) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is 4-piperidin-4-yloxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-piperidin-4-yloxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide
PubChem CID122555393
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Name4-piperidin-4-yloxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)ns1)c1cc(OC2CCNCC2)ccn1
InChIInChI=1S/C18H18N6O2S/c25-17(23-18-22-16(24-27-18)14-3-1-2-7-20-14)15-11-13(6-10-21-15)26-12-4-8-19-9-5-12/h1-3,6-7,10-12,19H,4-5,8-9H2,(H,22,23,24,25)
InChIKeyRTRMDMOCSJLAQV-UHFFFAOYSA-N
XLogP2.38
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-piperidin-4-yloxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide 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 4-piperidin-4-yloxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 4-piperidin-4-yloxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide (CID 122555393) is 4-piperidin-4-yloxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-piperidin-4-yloxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-piperidin-4-yloxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide is O=C(Nc1nc(-c2ccccn2)ns1)c1cc(OC2CCNCC2)ccn1.
What is the InChIKey of 4-piperidin-4-yloxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide?
The InChIKey is RTRMDMOCSJLAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c25-17(23-18-22-16(24-27-18)14-3-1-2-7-20-14)15-11-13(6-10-21-15)26-12-4-8-19-9-5-12/h1-3,6-7,10-12,19H,4-5,8-9H2,(H,22,23,24,25).
What are the key properties of 4-piperidin-4-yloxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide?
4-piperidin-4-yloxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yloxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 122555393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).