6-bromo-2-methoxypyridin-3-amine;N-(6-bromo-2-methoxy-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazole-4-carboxylic acid

C42H49Br2ClN16O14S3 — CID 160598144

About 6-bromo-2-methoxypyridin-3-amine;N-(6-bromo-2-methoxy-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazole-4-carboxylic acid

6-bromo-2-methoxypyridin-3-amine;N-(6-bromo-2-methoxy-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazole-4-carboxylic acid (PubChem CID 160598144) has the molecular formula C42H49Br2ClN16O14S3 and a molecular weight of 1293.41 g/mol. Its IUPAC name is 6-bromo-2-methoxypyridin-3-amine;N-(6-bromo-2-methoxy-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 6-bromo-2-methoxypyridin-3-amine;N-(6-bromo-2-methoxy-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazole-4-carboxylic acid
• PubChem CID: 160598144
• Molecular Formula: C42H49Br2ClN16O14S3
• Molecular Weight: 1293.41 g/mol
• Exact Mass: 1290.08
• IUPAC Name: 6-bromo-2-methoxypyridin-3-amine;N-(6-bromo-2-methoxy-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazole-4-carboxylic acid
• SMILES: COc1nc(-c2nnn(C)c2C(=O)O)ccc1NS(C)(=O)=O.COc1nc(-c2nnn(C)c2NC(=O)O[C@H](C)c2cccnc2Cl)ccc1NS(C)(=O)=O.COc1nc(Br)ccc1N.COc1nc(Br)ccc1NS(C)(=O)=O
• InChI: InChI=1S/C18H20ClN7O5S.C11H13N5O5S.C7H9BrN2O3S.C6H7BrN2O/c1-10(11-6-5-9-20-15(11)19)31-18(27)22-16-14(23-25-26(16)2)12-7-8-13(17(21-12)30-3)24-32(4,28)29;1-16-9(11(17)18)8(13-15-16)6-4-5-7(10(12-6)21-2)14-22(3,19)20;1-13-7-5(10-14(2,11)12)3-4-6(8)9-7;1-10-6-4(8)2-3-5(7)9-6/h5-10,24H,1-4H3,(H,22,27);4-5,14H,1-3H3,(H,17,18);3-4,10H,1-2H3;2-3H,8H2,1H3/t10-;;;/m1.../s1
• InChIKey: RDXIVNJPMJQTNQ-FYBBWCNBSA-N
• XLogP: 5.23
• TPSA: 402.95 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1293.41
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methoxypyridin-3-amine;N-(6-bromo-2-methoxy-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazole-4-carboxylic acid?

The IUPAC name of 6-bromo-2-methoxypyridin-3-amine;N-(6-bromo-2-methoxy-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazole-4-carboxylic acid (CID 160598144) is 6-bromo-2-methoxypyridin-3-amine;N-(6-bromo-2-methoxy-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazole-4-carboxylic acid.

What is the SMILES notation for 6-bromo-2-methoxypyridin-3-amine;N-(6-bromo-2-methoxy-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazole-4-carboxylic acid?

The canonical SMILES for 6-bromo-2-methoxypyridin-3-amine;N-(6-bromo-2-methoxy-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazole-4-carboxylic acid is COc1nc(-c2nnn(C)c2C(=O)O)ccc1NS(C)(=O)=O.COc1nc(-c2nnn(C)c2NC(=O)O[C@H](C)c2cccnc2Cl)ccc1NS(C)(=O)=O.COc1nc(Br)ccc1N.COc1nc(Br)ccc1NS(C)(=O)=O.

What is the InChIKey of 6-bromo-2-methoxypyridin-3-amine;N-(6-bromo-2-methoxy-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazole-4-carboxylic acid?

The InChIKey is RDXIVNJPMJQTNQ-FYBBWCNBSA-N. The full InChI is InChI=1S/C18H20ClN7O5S.C11H13N5O5S.C7H9BrN2O3S.C6H7BrN2O/c1-10(11-6-5-9-20-15(11)19)31-18(27)22-16-14(23-25-26(16)2)12-7-8-13(17(21-12)30-3)24-32(4,28)29;1-16-9(11(17)18)8(13-15-16)6-4-5-7(10(12-6)21-2)14-22(3,19)20;1-13-7-5(10-14(2,11)12)3-4-6(8)9-7;1-10-6-4(8)2-3-5(7)9-6/h5-10,24H,1-4H3,(H,22,27);4-5,14H,1-3H3,(H,17,18);3-4,10H,1-2H3;2-3H,8H2,1H3/t10-;;;/m1.../s1.

What are the key properties of 6-bromo-2-methoxypyridin-3-amine;N-(6-bromo-2-methoxy-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazole-4-carboxylic acid?

6-bromo-2-methoxypyridin-3-amine;N-(6-bromo-2-methoxy-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazole-4-carboxylic acid has a molecular weight of 1293.41 g/mol, XLogP of 5.23, 16 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-methoxypyridin-3-amine;N-(6-bromo-2-methoxy-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]-3-methyltriazole-4-carboxylic acid is sourced from PubChem (CID 160598144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).