5-[(2R)-1-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

C15H20N6O2 — CID 129331783

About 5-[(2R)-1-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

5-[(2R)-1-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 129331783) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 5-[(2R)-1-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2R)-1-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 129331783
• Molecular Formula: C15H20N6O2
• Molecular Weight: 316.37 g/mol
• Exact Mass: 316.16
• IUPAC Name: 5-[(2R)-1-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: CN(C)c1cc(CN2CCC[C@@H]2c2nc(C(N)=O)no2)ccn1
• InChI: InChI=1S/C15H20N6O2/c1-20(2)12-8-10(5-6-17-12)9-21-7-3-4-11(21)15-18-14(13(16)22)19-23-15/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,16,22)/t11-/m1/s1
• InChIKey: CKZWUQCBUYCRAV-LLVKDONJSA-N
• XLogP: 0.97
• TPSA: 101.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.37
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

The IUPAC name of 5-[(2R)-1-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 129331783) is 5-[(2R)-1-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

What is the SMILES notation for 5-[(2R)-1-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

The canonical SMILES for 5-[(2R)-1-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is CN(C)c1cc(CN2CCC[C@@H]2c2nc(C(N)=O)no2)ccn1.

What is the InChIKey of 5-[(2R)-1-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is CKZWUQCBUYCRAV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-20(2)12-8-10(5-6-17-12)9-21-7-3-4-11(21)15-18-14(13(16)22)19-23-15/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,16,22)/t11-/m1/s1.

What are the key properties of 5-[(2R)-1-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

5-[(2R)-1-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-1-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 129331783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).