N-[3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propyl]-2,2-difluoroacetamide

C20H17F4N9O2 — CID 162722793

About N-[3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propyl]-2,2-difluoroacetamide

N-[3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propyl]-2,2-difluoroacetamide (PubChem CID 162722793) has the molecular formula C20H17F4N9O2 and a molecular weight of 491.41 g/mol. Its IUPAC name is N-[3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propyl]-2,2-difluoroacetamide.

Molecular Properties

• Compound Name: N-[3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propyl]-2,2-difluoroacetamide
• PubChem CID: 162722793
• Molecular Formula: C20H17F4N9O2
• Molecular Weight: 491.41 g/mol
• Exact Mass: 491.14
• IUPAC Name: N-[3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propyl]-2,2-difluoroacetamide
• SMILES: Nc1ccc(-c2cn(C(CCNC(=O)C(F)F)c3ccc(-c4nnc(C(F)F)o4)cn3)nn2)cn1
• InChI: InChI=1S/C20H17F4N9O2/c21-16(22)18(34)26-6-5-14(33-9-13(29-32-33)10-2-4-15(25)28-7-10)12-3-1-11(8-27-12)19-30-31-20(35-19)17(23)24/h1-4,7-9,14,16-17H,5-6H2,(H2,25,28)(H,26,34)
• InChIKey: HDJIYUBGTOAGEW-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 150.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.41
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propyl]-2,2-difluoroacetamide?

The IUPAC name of N-[3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propyl]-2,2-difluoroacetamide (CID 162722793) is N-[3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propyl]-2,2-difluoroacetamide.

What is the SMILES notation for N-[3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propyl]-2,2-difluoroacetamide?

The canonical SMILES for N-[3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propyl]-2,2-difluoroacetamide is Nc1ccc(-c2cn(C(CCNC(=O)C(F)F)c3ccc(-c4nnc(C(F)F)o4)cn3)nn2)cn1.

What is the InChIKey of N-[3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propyl]-2,2-difluoroacetamide?

The InChIKey is HDJIYUBGTOAGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N9O2/c21-16(22)18(34)26-6-5-14(33-9-13(29-32-33)10-2-4-15(25)28-7-10)12-3-1-11(8-27-12)19-30-31-20(35-19)17(23)24/h1-4,7-9,14,16-17H,5-6H2,(H2,25,28)(H,26,34).

What are the key properties of N-[3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propyl]-2,2-difluoroacetamide?

N-[3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propyl]-2,2-difluoroacetamide has a molecular weight of 491.41 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propyl]-2,2-difluoroacetamide is sourced from PubChem (CID 162722793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).