2-pyridin-2-yl-N-[5-[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide

C23H23N9O3S2 — CID 121256426

IUPAC2-pyridin-2-yl-N-[5-[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1ccccn1)Nc1nnc(OC2CCN(c3nnc(NC(=O)Cc4ccccn4)s3)CC2)s1
InChIInChI=1S/C23H23N9O3S2/c33-18(13-15-5-1-3-9-24-15)26-20-28-30-22(36-20)32-11-7-17(8-12-32)35-23-31-29-21(37-23)27-19(34)14-16-6-2-4-10-25-16/h1-6,9-10,17H,7-8,11-14H2,(H,26,28,33)(H,27,29,34)
InChIKeyWJDQHPZTMYGKQB-UHFFFAOYSA-N
MW537.63 g/mol
LogP2.59
Rot. Bonds9

About 2-pyridin-2-yl-N-[5-[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide

2-pyridin-2-yl-N-[5-[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 121256426) has the molecular formula C23H23N9O3S2 and a molecular weight of 537.63 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-[5-[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-pyridin-2-yl-N-[5-[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID121256426
Molecular FormulaC23H23N9O3S2
Molecular Weight537.63 g/mol
Exact Mass537.14
IUPAC Name2-pyridin-2-yl-N-[5-[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1ccccn1)Nc1nnc(OC2CCN(c3nnc(NC(=O)Cc4ccccn4)s3)CC2)s1
InChIInChI=1S/C23H23N9O3S2/c33-18(13-15-5-1-3-9-24-15)26-20-28-30-22(36-20)32-11-7-17(8-12-32)35-23-31-29-21(37-23)27-19(34)14-16-6-2-4-10-25-16/h1-6,9-10,17H,7-8,11-14H2,(H,26,28,33)(H,27,29,34)
InChIKeyWJDQHPZTMYGKQB-UHFFFAOYSA-N
XLogP2.59
TPSA148.01 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.63
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-pyridin-2-yl-N-[5-[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-[5-[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-pyridin-2-yl-N-[5-[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide (CID 121256426) is 2-pyridin-2-yl-N-[5-[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-pyridin-2-yl-N-[5-[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-pyridin-2-yl-N-[5-[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cc1ccccn1)Nc1nnc(OC2CCN(c3nnc(NC(=O)Cc4ccccn4)s3)CC2)s1.
What is the InChIKey of 2-pyridin-2-yl-N-[5-[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is WJDQHPZTMYGKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N9O3S2/c33-18(13-15-5-1-3-9-24-15)26-20-28-30-22(36-20)32-11-7-17(8-12-32)35-23-31-29-21(37-23)27-19(34)14-16-6-2-4-10-25-16/h1-6,9-10,17H,7-8,11-14H2,(H,26,28,33)(H,27,29,34).
What are the key properties of 2-pyridin-2-yl-N-[5-[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?
2-pyridin-2-yl-N-[5-[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 537.63 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N-[5-[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 121256426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).