8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide

C15H11BrClN7O2 — CID 169122150

About 8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide

8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide (PubChem CID 169122150) has the molecular formula C15H11BrClN7O2 and a molecular weight of 436.66 g/mol. Its IUPAC name is 8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide.

Molecular Properties

• Compound Name: 8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide
• PubChem CID: 169122150
• Molecular Formula: C15H11BrClN7O2
• Molecular Weight: 436.66 g/mol
• Exact Mass: 434.98
• IUPAC Name: 8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide
• SMILES: O=C(Nc1cnc(-n2nccn2)c(Cl)c1)N1CCOc2c(Br)cncc21
• InChI: InChI=1S/C15H11BrClN7O2/c16-10-7-18-8-12-13(10)26-4-3-23(12)15(25)22-9-5-11(17)14(19-6-9)24-20-1-2-21-24/h1-2,5-8H,3-4H2,(H,22,25)
• InChIKey: NIQJGFAKDYKGEZ-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 98.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.66
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide?

The IUPAC name of 8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide (CID 169122150) is 8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide.

What is the SMILES notation for 8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide?

The canonical SMILES for 8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide is O=C(Nc1cnc(-n2nccn2)c(Cl)c1)N1CCOc2c(Br)cncc21.

What is the InChIKey of 8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide?

The InChIKey is NIQJGFAKDYKGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN7O2/c16-10-7-18-8-12-13(10)26-4-3-23(12)15(25)22-9-5-11(17)14(19-6-9)24-20-1-2-21-24/h1-2,5-8H,3-4H2,(H,22,25).

What are the key properties of 8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide?

8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide has a molecular weight of 436.66 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 169122150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).