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

C60H71BrClN17O12S4 — CID 161077677

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

N-(6-bromo-2-cyclopropyl-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[6-cyclopropyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;5-[6-cyclopropyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;2-cyclopropylpyridin-3-amine;N-(2-cyclopropyl-3-pyridinyl)methanesulfonamide (PubChem CID 161077677) has the molecular formula C60H71BrClN17O12S4 and a molecular weight of 1465.96 g/mol. Its IUPAC name is N-(6-bromo-2-cyclopropyl-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[6-cyclopropyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;5-[6-cyclopropyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;2-cyclopropylpyridin-3-amine;N-(2-cyclopropyl-3-pyridinyl)methanesulfonamide.

Molecular Properties

• Compound Name: N-(6-bromo-2-cyclopropyl-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[6-cyclopropyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;5-[6-cyclopropyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;2-cyclopropylpyridin-3-amine;N-(2-cyclopropyl-3-pyridinyl)methanesulfonamide
• PubChem CID: 161077677
• Molecular Formula: C60H71BrClN17O12S4
• Molecular Weight: 1465.96 g/mol
• Exact Mass: 1463.32
• IUPAC Name: N-(6-bromo-2-cyclopropyl-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[6-cyclopropyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;5-[6-cyclopropyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;2-cyclopropylpyridin-3-amine;N-(2-cyclopropyl-3-pyridinyl)methanesulfonamide
• SMILES: CS(=O)(=O)Nc1ccc(Br)nc1C1CC1.CS(=O)(=O)Nc1cccnc1C1CC1.C[C@@H](OC(=O)Cc1c(-c2ccc(NS(C)(=O)=O)c(C3CC3)n2)nnn1C)c1cccnc1Cl.Cn1nnc(-c2ccc(NS(C)(=O)=O)c(C3CC3)n2)c1C(=O)O.Nc1cccnc1C1CC1
• InChI: InChI=1S/C21H23ClN6O4S.C13H15N5O4S.C9H11BrN2O2S.C9H12N2O2S.C8H10N2/c1-12(14-5-4-10-23-21(14)22)32-18(29)11-17-20(25-27-28(17)2)15-8-9-16(26-33(3,30)31)19(24-15)13-6-7-13;1-18-12(13(19)20)11(15-17-18)8-5-6-9(16-23(2,21)22)10(14-8)7-3-4-7;1-15(13,14)12-7-4-5-8(10)11-9(7)6-2-3-6;1-14(12,13)11-8-3-2-6-10-9(8)7-4-5-7;9-7-2-1-5-10-8(7)6-3-4-6/h4-5,8-10,12-13,26H,6-7,11H2,1-3H3;5-7,16H,3-4H2,1-2H3,(H,19,20);4-6,12H,2-3H2,1H3;2-3,6-7,11H,4-5H2,1H3;1-2,5-6H,3-4,9H2/t12-;;;;/m1..../s1
• InChIKey: UFMOKFJQHUJMMO-HHUWXINPSA-N
• XLogP: 8.81
• TPSA: 413.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1465.96
LogP ≤ 5	8.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-(6-bromo-2-cyclopropyl-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[6-cyclopropyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;5-[6-cyclopropyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;2-cyclopropylpyridin-3-amine;N-(2-cyclopropyl-3-pyridinyl)methanesulfonamide (CID 161077677) is N-(6-bromo-2-cyclopropyl-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[6-cyclopropyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;5-[6-cyclopropyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;2-cyclopropylpyridin-3-amine;N-(2-cyclopropyl-3-pyridinyl)methanesulfonamide.

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

The canonical SMILES for N-(6-bromo-2-cyclopropyl-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[6-cyclopropyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;5-[6-cyclopropyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;2-cyclopropylpyridin-3-amine;N-(2-cyclopropyl-3-pyridinyl)methanesulfonamide is CS(=O)(=O)Nc1ccc(Br)nc1C1CC1.CS(=O)(=O)Nc1cccnc1C1CC1.C[C@@H](OC(=O)Cc1c(-c2ccc(NS(C)(=O)=O)c(C3CC3)n2)nnn1C)c1cccnc1Cl.Cn1nnc(-c2ccc(NS(C)(=O)=O)c(C3CC3)n2)c1C(=O)O.Nc1cccnc1C1CC1.

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

The InChIKey is UFMOKFJQHUJMMO-HHUWXINPSA-N. The full InChI is InChI=1S/C21H23ClN6O4S.C13H15N5O4S.C9H11BrN2O2S.C9H12N2O2S.C8H10N2/c1-12(14-5-4-10-23-21(14)22)32-18(29)11-17-20(25-27-28(17)2)15-8-9-16(26-33(3,30)31)19(24-15)13-6-7-13;1-18-12(13(19)20)11(15-17-18)8-5-6-9(16-23(2,21)22)10(14-8)7-3-4-7;1-15(13,14)12-7-4-5-8(10)11-9(7)6-2-3-6;1-14(12,13)11-8-3-2-6-10-9(8)7-4-5-7;9-7-2-1-5-10-8(7)6-3-4-6/h4-5,8-10,12-13,26H,6-7,11H2,1-3H3;5-7,16H,3-4H2,1-2H3,(H,19,20);4-6,12H,2-3H2,1H3;2-3,6-7,11H,4-5H2,1H3;1-2,5-6H,3-4,9H2/t12-;;;;/m1..../s1.

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

N-(6-bromo-2-cyclopropyl-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[6-cyclopropyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;5-[6-cyclopropyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;2-cyclopropylpyridin-3-amine;N-(2-cyclopropyl-3-pyridinyl)methanesulfonamide has a molecular weight of 1465.96 g/mol, XLogP of 8.81, 20 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-bromo-2-cyclopropyl-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[6-cyclopropyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;5-[6-cyclopropyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;2-cyclopropylpyridin-3-amine;N-(2-cyclopropyl-3-pyridinyl)methanesulfonamide is sourced from PubChem (CID 161077677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).