5-bromo-6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]pyridine-3-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide;4-bromo-1,2-thiazole;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(1,2-thiazol-4-yl)pyridine-3-carboxamide;(3R)-N,N-dimethylpyrrolidin-3-amine

C88H97BBr3Cl5F8N18O10S2 — CID 159340122

About 5-bromo-6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]pyridine-3-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide;4-bromo-1,2-thiazole;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(1,2-thiazol-4-yl)pyridine-3-carboxamide;(3R)-N,N-dimethylpyrrolidin-3-amine

5-bromo-6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]pyridine-3-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide;4-bromo-1,2-thiazole;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(1,2-thiazol-4-yl)pyridine-3-carboxamide;(3R)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 159340122) has the molecular formula C88H97BBr3Cl5F8N18O10S2 and a molecular weight of 2210.77 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]pyridine-3-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide;4-bromo-1,2-thiazole;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(1,2-thiazol-4-yl)pyridine-3-carboxamide;(3R)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

• Compound Name: 5-bromo-6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]pyridine-3-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide;4-bromo-1,2-thiazole;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(1,2-thiazol-4-yl)pyridine-3-carboxamide;(3R)-N,N-dimethylpyrrolidin-3-amine
• PubChem CID: 159340122
• Molecular Formula: C88H97BBr3Cl5F8N18O10S2
• Molecular Weight: 2210.77 g/mol
• Exact Mass: 2204.30
• IUPAC Name: 5-bromo-6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]pyridine-3-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide;4-bromo-1,2-thiazole;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(1,2-thiazol-4-yl)pyridine-3-carboxamide;(3R)-N,N-dimethylpyrrolidin-3-amine
• SMILES: Brc1cnsc1.CN(C)[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cnsc2)C1.CN(C)[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2B2OC(C)(C)C(C)(C)O2)C1.CN(C)[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2Br)C1.CN(C)[C@@H]1CCNC1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(Cl)c(Br)c1
• InChI: InChI=1S/C25H32BClF2N4O4.C22H22ClF2N5O2S.C19H20BrClF2N4O2.C13H7BrCl2F2N2O2.C6H14N2.C3H2BrNS/c1-23(2)24(3,4)37-26(36-23)20-13-16(14-30-21(20)33-12-11-18(15-33)32(5)6)22(34)31-17-7-9-19(10-8-17)35-25(27,28)29;1-29(2)17-7-8-30(12-17)20-19(15-11-27-33-13-15)9-14(10-26-20)21(31)28-16-3-5-18(6-4-16)32-22(23,24)25;1-26(2)14-7-8-27(11-14)17-16(20)9-12(10-24-17)18(28)25-13-3-5-15(6-4-13)29-19(21,22)23;14-10-5-7(6-19-11(10)15)12(21)20-8-1-3-9(4-2-8)22-13(16,17)18;1-8(2)6-3-4-7-5-6;4-3-1-5-6-2-3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,31,34);3-6,9-11,13,17H,7-8,12H2,1-2H3,(H,28,31);3-6,9-10,14H,7-8,11H2,1-2H3,(H,25,28);1-6H,(H,20,21);6-7H,3-5H2,1-2H3;1-2H/t18-;17-;14-;;6-;/m111.1./s1
• InChIKey: LGANLBSPWSCVAX-UCBMDXGWSA-N
• XLogP: 19.84
• TPSA: 283.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2210.77
LogP ≤ 5	19.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]pyridine-3-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide;4-bromo-1,2-thiazole;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(1,2-thiazol-4-yl)pyridine-3-carboxamide;(3R)-N,N-dimethylpyrrolidin-3-amine?

The IUPAC name of 5-bromo-6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]pyridine-3-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide;4-bromo-1,2-thiazole;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(1,2-thiazol-4-yl)pyridine-3-carboxamide;(3R)-N,N-dimethylpyrrolidin-3-amine (CID 159340122) is 5-bromo-6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]pyridine-3-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide;4-bromo-1,2-thiazole;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(1,2-thiazol-4-yl)pyridine-3-carboxamide;(3R)-N,N-dimethylpyrrolidin-3-amine.

What is the SMILES notation for 5-bromo-6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]pyridine-3-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide;4-bromo-1,2-thiazole;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(1,2-thiazol-4-yl)pyridine-3-carboxamide;(3R)-N,N-dimethylpyrrolidin-3-amine?

The canonical SMILES for 5-bromo-6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]pyridine-3-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide;4-bromo-1,2-thiazole;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(1,2-thiazol-4-yl)pyridine-3-carboxamide;(3R)-N,N-dimethylpyrrolidin-3-amine is Brc1cnsc1.CN(C)[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cnsc2)C1.CN(C)[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2B2OC(C)(C)C(C)(C)O2)C1.CN(C)[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2Br)C1.CN(C)[C@@H]1CCNC1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(Cl)c(Br)c1.

What is the InChIKey of 5-bromo-6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]pyridine-3-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide;4-bromo-1,2-thiazole;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(1,2-thiazol-4-yl)pyridine-3-carboxamide;(3R)-N,N-dimethylpyrrolidin-3-amine?

The InChIKey is LGANLBSPWSCVAX-UCBMDXGWSA-N. The full InChI is InChI=1S/C25H32BClF2N4O4.C22H22ClF2N5O2S.C19H20BrClF2N4O2.C13H7BrCl2F2N2O2.C6H14N2.C3H2BrNS/c1-23(2)24(3,4)37-26(36-23)20-13-16(14-30-21(20)33-12-11-18(15-33)32(5)6)22(34)31-17-7-9-19(10-8-17)35-25(27,28)29;1-29(2)17-7-8-30(12-17)20-19(15-11-27-33-13-15)9-14(10-26-20)21(31)28-16-3-5-18(6-4-16)32-22(23,24)25;1-26(2)14-7-8-27(11-14)17-16(20)9-12(10-24-17)18(28)25-13-3-5-15(6-4-13)29-19(21,22)23;14-10-5-7(6-19-11(10)15)12(21)20-8-1-3-9(4-2-8)22-13(16,17)18;1-8(2)6-3-4-7-5-6;4-3-1-5-6-2-3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,31,34);3-6,9-11,13,17H,7-8,12H2,1-2H3,(H,28,31);3-6,9-10,14H,7-8,11H2,1-2H3,(H,25,28);1-6H,(H,20,21);6-7H,3-5H2,1-2H3;1-2H/t18-;17-;14-;;6-;/m111.1./s1.

What are the key properties of 5-bromo-6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]pyridine-3-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide;4-bromo-1,2-thiazole;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(1,2-thiazol-4-yl)pyridine-3-carboxamide;(3R)-N,N-dimethylpyrrolidin-3-amine?

5-bromo-6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]pyridine-3-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide;4-bromo-1,2-thiazole;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(1,2-thiazol-4-yl)pyridine-3-carboxamide;(3R)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 2210.77 g/mol, XLogP of 19.84, 25 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]pyridine-3-carboxamide;5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide;4-bromo-1,2-thiazole;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(1,2-thiazol-4-yl)pyridine-3-carboxamide;(3R)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 159340122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).