6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one

C46H44Br2Cl2N16O10 — CID 163532625

About 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one

6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 163532625) has the molecular formula C46H44Br2Cl2N16O10 and a molecular weight of 1211.67 g/mol. Its IUPAC name is 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

• Compound Name: 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one
• PubChem CID: 163532625
• Molecular Formula: C46H44Br2Cl2N16O10
• Molecular Weight: 1211.67 g/mol
• Exact Mass: 1208.12
• IUPAC Name: 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one
• SMILES: CC1Oc2nc(-c3nnn(C)c3NC(=O)O[C@H](C)c3cccnc3Cl)ccc2NC1=O.CC1Oc2nc(Br)ccc2NC1=O.CC1Oc2ncccc2NC1=O.C[C@@H](OC(=O)Nc1c(Br)nnn1C)c1cccnc1Cl
• InChI: InChI=1S/C19H18ClN7O4.C11H11BrClN5O2.C8H7BrN2O2.C8H8N2O2/c1-9(11-5-4-8-21-15(11)20)31-19(29)24-16-14(25-26-27(16)3)12-6-7-13-18(23-12)30-10(2)17(28)22-13;1-6(7-4-3-5-14-9(7)13)20-11(19)15-10-8(12)16-17-18(10)2;1-4-7(12)10-5-2-3-6(9)11-8(5)13-4;1-5-7(11)10-6-3-2-4-9-8(6)12-5/h4-10H,1-3H3,(H,22,28)(H,24,29);3-6H,1-2H3,(H,15,19);2-4H,1H3,(H,10,12);2-5H,1H3,(H,10,11)/t9-,10?;6-;;/m11../s1
• InChIKey: DUHCGZGFKMDTGB-RCRYPWTCSA-N
• XLogP: 8.25
• TPSA: 317.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1211.67
LogP ≤ 5	8.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one?

The IUPAC name of 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one (CID 163532625) is 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one.

What is the SMILES notation for 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one?

The canonical SMILES for 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one is CC1Oc2nc(-c3nnn(C)c3NC(=O)O[C@H](C)c3cccnc3Cl)ccc2NC1=O.CC1Oc2nc(Br)ccc2NC1=O.CC1Oc2ncccc2NC1=O.C[C@@H](OC(=O)Nc1c(Br)nnn1C)c1cccnc1Cl.

What is the InChIKey of 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one?

The InChIKey is DUHCGZGFKMDTGB-RCRYPWTCSA-N. The full InChI is InChI=1S/C19H18ClN7O4.C11H11BrClN5O2.C8H7BrN2O2.C8H8N2O2/c1-9(11-5-4-8-21-15(11)20)31-19(29)24-16-14(25-26-27(16)3)12-6-7-13-18(23-12)30-10(2)17(28)22-13;1-6(7-4-3-5-14-9(7)13)20-11(19)15-10-8(12)16-17-18(10)2;1-4-7(12)10-5-2-3-6(9)11-8(5)13-4;1-5-7(11)10-6-3-2-4-9-8(6)12-5/h4-10H,1-3H3,(H,22,28)(H,24,29);3-6H,1-2H3,(H,15,19);2-4H,1H3,(H,10,12);2-5H,1H3,(H,10,11)/t9-,10?;6-;;/m11../s1.

What are the key properties of 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one?

6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 1211.67 g/mol, XLogP of 8.25, 7 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-(3-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]carbamate;3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 163532625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).