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

C19H19F2N9O3S — CID 162722272

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

N-[3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propyl]methanesulfonamide (PubChem CID 162722272) has the molecular formula C19H19F2N9O3S and a molecular weight of 491.48 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]methanesulfonamide.

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]methanesulfonamide
• PubChem CID: 162722272
• Molecular Formula: C19H19F2N9O3S
• Molecular Weight: 491.48 g/mol
• Exact Mass: 491.13
• 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]methanesulfonamide
• SMILES: CS(=O)(=O)NCCC(c1ccc(-c2nnc(C(F)F)o2)cn1)n1cc(-c2ccc(N)nc2)nn1
• InChI: InChI=1S/C19H19F2N9O3S/c1-34(31,32)25-7-6-15(30-10-14(26-29-30)11-3-5-16(22)24-8-11)13-4-2-12(9-23-13)18-27-28-19(33-18)17(20)21/h2-5,8-10,15,17,25H,6-7H2,1H3,(H2,22,24)
• InChIKey: HFSUQAYWLFFMTJ-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 167.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.48
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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]methanesulfonamide?

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]methanesulfonamide (CID 162722272) is N-[3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propyl]methanesulfonamide.

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]methanesulfonamide?

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]methanesulfonamide is CS(=O)(=O)NCCC(c1ccc(-c2nnc(C(F)F)o2)cn1)n1cc(-c2ccc(N)nc2)nn1.

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]methanesulfonamide?

The InChIKey is HFSUQAYWLFFMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N9O3S/c1-34(31,32)25-7-6-15(30-10-14(26-29-30)11-3-5-16(22)24-8-11)13-4-2-12(9-23-13)18-27-28-19(33-18)17(20)21/h2-5,8-10,15,17,25H,6-7H2,1H3,(H2,22,24).

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]methanesulfonamide?

N-[3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]propyl]methanesulfonamide has a molecular weight of 491.48 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 11 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]methanesulfonamide is sourced from PubChem (CID 162722272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).