1-[(3R)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

C24H30N6O2 — CID 95813784

About 1-[(3R)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

1-[(3R)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 95813784) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[(3R)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[(3R)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
• PubChem CID: 95813784
• Molecular Formula: C24H30N6O2
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.24
• IUPAC Name: 1-[(3R)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
• SMILES: Cc1cccc(Nc2ccc([C@@H]3CCCN(C(=O)CCc4nnc(C(C)C)o4)C3)nc2)n1
• InChI: InChI=1S/C24H30N6O2/c1-16(2)24-29-28-22(32-24)11-12-23(31)30-13-5-7-18(15-30)20-10-9-19(14-25-20)27-21-8-4-6-17(3)26-21/h4,6,8-10,14,16,18H,5,7,11-13,15H2,1-3H3,(H,26,27)/t18-/m1/s1
• InChIKey: XKZMIEYDEWWZOY-GOSISDBHSA-N
• XLogP: 4.37
• TPSA: 97.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

The IUPAC name of 1-[(3R)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 95813784) is 1-[(3R)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

What is the SMILES notation for 1-[(3R)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

The canonical SMILES for 1-[(3R)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is Cc1cccc(Nc2ccc([C@@H]3CCCN(C(=O)CCc4nnc(C(C)C)o4)C3)nc2)n1.

What is the InChIKey of 1-[(3R)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

The InChIKey is XKZMIEYDEWWZOY-GOSISDBHSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-16(2)24-29-28-22(32-24)11-12-23(31)30-13-5-7-18(15-30)20-10-9-19(14-25-20)27-21-8-4-6-17(3)26-21/h4,6,8-10,14,16,18H,5,7,11-13,15H2,1-3H3,(H,26,27)/t18-/m1/s1.

What are the key properties of 1-[(3R)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

1-[(3R)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 434.54 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 95813784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).