tert-butyl N-methyl-N-[1-[4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]piperidin-3-yl]carbamate

C26H33N7O5 — CID 154642537

About tert-butyl N-methyl-N-[1-[4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]piperidin-3-yl]carbamate

tert-butyl N-methyl-N-[1-[4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]piperidin-3-yl]carbamate (PubChem CID 154642537) has the molecular formula C26H33N7O5 and a molecular weight of 523.59 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-[4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]piperidin-3-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-methyl-N-[1-[4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]piperidin-3-yl]carbamate
• PubChem CID: 154642537
• Molecular Formula: C26H33N7O5
• Molecular Weight: 523.59 g/mol
• Exact Mass: 523.25
• IUPAC Name: tert-butyl N-methyl-N-[1-[4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]piperidin-3-yl]carbamate
• SMILES: CN(C(=O)OC(C)(C)C)C1CCCN(C(=O)c2cnc3c(c2)OCCN3c2ccn3c(=O)n(C)nc3c2)C1
• InChI: InChI=1S/C26H33N7O5/c1-26(2,3)38-25(36)29(4)19-7-6-9-31(16-19)23(34)17-13-20-22(27-15-17)32(11-12-37-20)18-8-10-33-21(14-18)28-30(5)24(33)35/h8,10,13-15,19H,6-7,9,11-12,16H2,1-5H3
• InChIKey: XFNHBAWKMBXBOH-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 114.51 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.59
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-[4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]piperidin-3-yl]carbamate?

The IUPAC name of tert-butyl N-methyl-N-[1-[4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]piperidin-3-yl]carbamate (CID 154642537) is tert-butyl N-methyl-N-[1-[4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]piperidin-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-methyl-N-[1-[4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]piperidin-3-yl]carbamate?

The canonical SMILES for tert-butyl N-methyl-N-[1-[4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]piperidin-3-yl]carbamate is CN(C(=O)OC(C)(C)C)C1CCCN(C(=O)c2cnc3c(c2)OCCN3c2ccn3c(=O)n(C)nc3c2)C1.

What is the InChIKey of tert-butyl N-methyl-N-[1-[4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]piperidin-3-yl]carbamate?

The InChIKey is XFNHBAWKMBXBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O5/c1-26(2,3)38-25(36)29(4)19-7-6-9-31(16-19)23(34)17-13-20-22(27-15-17)32(11-12-37-20)18-8-10-33-21(14-18)28-30(5)24(33)35/h8,10,13-15,19H,6-7,9,11-12,16H2,1-5H3.

What are the key properties of tert-butyl N-methyl-N-[1-[4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]piperidin-3-yl]carbamate?

tert-butyl N-methyl-N-[1-[4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]piperidin-3-yl]carbamate has a molecular weight of 523.59 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-methyl-N-[1-[4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 154642537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).