2-[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;methane

C26H37N7O5 — CID 160916904

About 2-[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;methane

2-[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;methane (PubChem CID 160916904) has the molecular formula C26H37N7O5 and a molecular weight of 527.63 g/mol. Its IUPAC name is 2-[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;methane.

Molecular Properties

• Compound Name: 2-[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;methane
• PubChem CID: 160916904
• Molecular Formula: C26H37N7O5
• Molecular Weight: 527.63 g/mol
• Exact Mass: 527.29
• IUPAC Name: 2-[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;methane
• SMILES: C.CN(CC(N)=O)C(=O)OCCc1cccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12
• InChI: InChI=1S/C25H33N7O5.CH4/c1-25(2,27)23(34)28-19(16-36-15-17-8-5-4-6-9-17)22-30-29-21-11-7-10-18(32(21)22)12-13-37-24(35)31(3)14-20(26)33;/h4-11,19H,12-16,27H2,1-3H3,(H2,26,33)(H,28,34);1H4/t19-;/m1./s1
• InChIKey: SRNCZMMEYVAXLJ-FSRHSHDFSA-N
• XLogP: 1.57
• TPSA: 167.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.63
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;methane (CID 160916904) is 2-[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;methane.

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

The canonical SMILES for 2-[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;methane is C.CN(CC(N)=O)C(=O)OCCc1cccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12.

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

The InChIKey is SRNCZMMEYVAXLJ-FSRHSHDFSA-N. The full InChI is InChI=1S/C25H33N7O5.CH4/c1-25(2,27)23(34)28-19(16-36-15-17-8-5-4-6-9-17)22-30-29-21-11-7-10-18(32(21)22)12-13-37-24(35)31(3)14-20(26)33;/h4-11,19H,12-16,27H2,1-3H3,(H2,26,33)(H,28,34);1H4/t19-;/m1./s1.

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

2-[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;methane has a molecular weight of 527.63 g/mol, XLogP of 1.57, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;methane is sourced from PubChem (CID 160916904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).