6-bromo-3,3-dimethyl-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-[5-(3,3-dimethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;3,3-dimethyl-1H-pyrido[2,3-b][1,4]oxazin-2-one

C49H50Br2Cl2N16O10 — CID 163912071

About 6-bromo-3,3-dimethyl-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-[5-(3,3-dimethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;3,3-dimethyl-1H-pyrido[2,3-b][1,4]oxazin-2-one

6-bromo-3,3-dimethyl-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-[5-(3,3-dimethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;3,3-dimethyl-1H-pyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 163912071) has the molecular formula C49H50Br2Cl2N16O10 and a molecular weight of 1253.75 g/mol. Its IUPAC name is 6-bromo-3,3-dimethyl-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-[5-(3,3-dimethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;3,3-dimethyl-1H-pyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

• Compound Name: 6-bromo-3,3-dimethyl-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-[5-(3,3-dimethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;3,3-dimethyl-1H-pyrido[2,3-b][1,4]oxazin-2-one
• PubChem CID: 163912071
• Molecular Formula: C49H50Br2Cl2N16O10
• Molecular Weight: 1253.75 g/mol
• Exact Mass: 1250.16
• IUPAC Name: 6-bromo-3,3-dimethyl-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-[5-(3,3-dimethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;3,3-dimethyl-1H-pyrido[2,3-b][1,4]oxazin-2-one
• SMILES: CC1(C)Oc2nc(Br)ccc2NC1=O.CC1(C)Oc2ncccc2NC1=O.C[C@@H](OC(=O)Nc1c(-c2ccc3c(n2)OC(C)(C)C(=O)N3)nnn1C)c1cccnc1Cl.C[C@@H](OC(=O)Nc1c(Br)nnn1C)c1cccnc1Cl
• InChI: InChI=1S/C20H20ClN7O4.C11H11BrClN5O2.C9H9BrN2O2.C9H10N2O2/c1-10(11-6-5-9-22-15(11)21)31-19(30)25-16-14(26-27-28(16)4)12-7-8-13-17(23-12)32-20(2,3)18(29)24-13;1-6(7-4-3-5-14-9(7)13)20-11(19)15-10-8(12)16-17-18(10)2;1-9(2)8(13)11-5-3-4-6(10)12-7(5)14-9;1-9(2)8(12)11-6-4-3-5-10-7(6)13-9/h5-10H,1-4H3,(H,24,29)(H,25,30);3-6H,1-2H3,(H,15,19);3-4H,1-2H3,(H,11,13);3-5H,1-2H3,(H,11,12)/t10-;6-;;/m11../s1
• InChIKey: QSYXXFXZONUOJD-NBHIIHPKSA-N
• XLogP: 9.43
• TPSA: 317.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 7
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1253.75
LogP ≤ 5	9.43
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-3,3-dimethyl-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-[5-(3,3-dimethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;3,3-dimethyl-1H-pyrido[2,3-b][1,4]oxazin-2-one?

The IUPAC name of 6-bromo-3,3-dimethyl-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-[5-(3,3-dimethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;3,3-dimethyl-1H-pyrido[2,3-b][1,4]oxazin-2-one (CID 163912071) is 6-bromo-3,3-dimethyl-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-[5-(3,3-dimethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;3,3-dimethyl-1H-pyrido[2,3-b][1,4]oxazin-2-one.

What is the SMILES notation for 6-bromo-3,3-dimethyl-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-[5-(3,3-dimethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;3,3-dimethyl-1H-pyrido[2,3-b][1,4]oxazin-2-one?

The canonical SMILES for 6-bromo-3,3-dimethyl-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-[5-(3,3-dimethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;3,3-dimethyl-1H-pyrido[2,3-b][1,4]oxazin-2-one is CC1(C)Oc2nc(Br)ccc2NC1=O.CC1(C)Oc2ncccc2NC1=O.C[C@@H](OC(=O)Nc1c(-c2ccc3c(n2)OC(C)(C)C(=O)N3)nnn1C)c1cccnc1Cl.C[C@@H](OC(=O)Nc1c(Br)nnn1C)c1cccnc1Cl.

What is the InChIKey of 6-bromo-3,3-dimethyl-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-[5-(3,3-dimethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;3,3-dimethyl-1H-pyrido[2,3-b][1,4]oxazin-2-one?

The InChIKey is QSYXXFXZONUOJD-NBHIIHPKSA-N. The full InChI is InChI=1S/C20H20ClN7O4.C11H11BrClN5O2.C9H9BrN2O2.C9H10N2O2/c1-10(11-6-5-9-22-15(11)21)31-19(30)25-16-14(26-27-28(16)4)12-7-8-13-17(23-12)32-20(2,3)18(29)24-13;1-6(7-4-3-5-14-9(7)13)20-11(19)15-10-8(12)16-17-18(10)2;1-9(2)8(13)11-5-3-4-6(10)12-7(5)14-9;1-9(2)8(12)11-6-4-3-5-10-7(6)13-9/h5-10H,1-4H3,(H,24,29)(H,25,30);3-6H,1-2H3,(H,15,19);3-4H,1-2H3,(H,11,13);3-5H,1-2H3,(H,11,12)/t10-;6-;;/m11../s1.

What are the key properties of 6-bromo-3,3-dimethyl-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-[5-(3,3-dimethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;3,3-dimethyl-1H-pyrido[2,3-b][1,4]oxazin-2-one?

6-bromo-3,3-dimethyl-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-[5-(3,3-dimethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;3,3-dimethyl-1H-pyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 1253.75 g/mol, XLogP of 9.43, 7 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3,3-dimethyl-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-[5-(3,3-dimethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate;3,3-dimethyl-1H-pyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 163912071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).