[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;methane

C25H36N6O4 — CID 160981592

About [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;methane

[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;methane (PubChem CID 160981592) has the molecular formula C25H36N6O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;methane.

Molecular Properties

• Compound Name: [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;methane
• PubChem CID: 160981592
• Molecular Formula: C25H36N6O4
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.28
• IUPAC Name: [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;methane
• SMILES: C.Cc1cccc(COC[C@@H](NC(=O)C(C)(C)N)c2nnc3cccc(COC(=O)N(C)C)n23)c1
• InChI: InChI=1S/C24H32N6O4.CH4/c1-16-8-6-9-17(12-16)13-33-15-19(26-22(31)24(2,3)25)21-28-27-20-11-7-10-18(30(20)21)14-34-23(32)29(4)5;/h6-12,19H,13-15,25H2,1-5H3,(H,26,31);1H4/t19-;/m1./s1
• InChIKey: SZOYJXMAIBXJMP-FSRHSHDFSA-N
• XLogP: 2.98
• TPSA: 124.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;methane?

The IUPAC name of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;methane (CID 160981592) is [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;methane.

What is the SMILES notation for [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;methane?

The canonical SMILES for [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;methane is C.Cc1cccc(COC[C@@H](NC(=O)C(C)(C)N)c2nnc3cccc(COC(=O)N(C)C)n23)c1.

What is the InChIKey of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;methane?

The InChIKey is SZOYJXMAIBXJMP-FSRHSHDFSA-N. The full InChI is InChI=1S/C24H32N6O4.CH4/c1-16-8-6-9-17(12-16)13-33-15-19(26-22(31)24(2,3)25)21-28-27-20-11-7-10-18(30(20)21)14-34-23(32)29(4)5;/h6-12,19H,13-15,25H2,1-5H3,(H,26,31);1H4/t19-;/m1./s1.

What are the key properties of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;methane?

[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;methane has a molecular weight of 484.60 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;methane is sourced from PubChem (CID 160981592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).