N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylethanesulfonamide

C25H34N6O3S — CID 11569577

About N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylethanesulfonamide

N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylethanesulfonamide (PubChem CID 11569577) has the molecular formula C25H34N6O3S and a molecular weight of 498.65 g/mol. Its IUPAC name is N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylethanesulfonamide.

Molecular Properties

• Compound Name: N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylethanesulfonamide
• PubChem CID: 11569577
• Molecular Formula: C25H34N6O3S
• Molecular Weight: 498.65 g/mol
• Exact Mass: 498.24
• IUPAC Name: N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylethanesulfonamide
• SMILES: CCS(=O)(=O)N(C)c1cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)cc(N(C)CC2CC2C)n1
• InChI: InChI=1S/C25H34N6O3S/c1-6-35(32,33)31(5)22-14-19(13-21(27-22)30(4)16-20-12-17(20)2)23-28-29-24(34-23)25(3,26)15-18-10-8-7-9-11-18/h7-11,13-14,17,20H,6,12,15-16,26H2,1-5H3/t17?,20?,25-/m1/s1
• InChIKey: CUAWDBYLKBNGNJ-DZMFODKZSA-N
• XLogP: 3.43
• TPSA: 118.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.65
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylethanesulfonamide?

The IUPAC name of N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylethanesulfonamide (CID 11569577) is N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylethanesulfonamide.

What is the SMILES notation for N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylethanesulfonamide?

The canonical SMILES for N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)c1cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)cc(N(C)CC2CC2C)n1.

What is the InChIKey of N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylethanesulfonamide?

The InChIKey is CUAWDBYLKBNGNJ-DZMFODKZSA-N. The full InChI is InChI=1S/C25H34N6O3S/c1-6-35(32,33)31(5)22-14-19(13-21(27-22)30(4)16-20-12-17(20)2)23-28-29-24(34-23)25(3,26)15-18-10-8-7-9-11-18/h7-11,13-14,17,20H,6,12,15-16,26H2,1-5H3/t17?,20?,25-/m1/s1.

What are the key properties of N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylethanesulfonamide?

N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylethanesulfonamide has a molecular weight of 498.65 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylethanesulfonamide is sourced from PubChem (CID 11569577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).