bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoro-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoropyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;[5-[1-bicyclo[1.1.1]pentanyl(methyl)carbamoyl]-6-(dimethylamino)-3-pyridinyl]boronic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(4-chloro-2-pyridinyl)-2-methylpyrimidin-4-amine;methane;N-methylmethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C111H143B3Br4ClF3N24O13 — CID 162129970

About bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoro-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoropyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;[5-[1-bicyclo[1.1.1]pentanyl(methyl)carbamoyl]-6-(dimethylamino)-3-pyridinyl]boronic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(4-chloro-2-pyridinyl)-2-methylpyrimidin-4-amine;methane;N-methylmethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoro-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoropyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;[5-[1-bicyclo[1.1.1]pentanyl(methyl)carbamoyl]-6-(dimethylamino)-3-pyridinyl]boronic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(4-chloro-2-pyridinyl)-2-methylpyrimidin-4-amine;methane;N-methylmethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 162129970) has the molecular formula C111H143B3Br4ClF3N24O13 and a molecular weight of 2466.02 g/mol. Its IUPAC name is bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoro-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoropyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;[5-[1-bicyclo[1.1.1]pentanyl(methyl)carbamoyl]-6-(dimethylamino)-3-pyridinyl]boronic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(4-chloro-2-pyridinyl)-2-methylpyrimidin-4-amine;methane;N-methylmethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoro-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoropyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;[5-[1-bicyclo[1.1.1]pentanyl(methyl)carbamoyl]-6-(dimethylamino)-3-pyridinyl]boronic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(4-chloro-2-pyridinyl)-2-methylpyrimidin-4-amine;methane;N-methylmethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 162129970
• Molecular Formula: C111H143B3Br4ClF3N24O13
• Molecular Weight: 2466.02 g/mol
• Exact Mass: 2460.79
• IUPAC Name: bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoro-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoropyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;[5-[1-bicyclo[1.1.1]pentanyl(methyl)carbamoyl]-6-(dimethylamino)-3-pyridinyl]boronic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(4-chloro-2-pyridinyl)-2-methylpyrimidin-4-amine;methane;N-methylmethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN(C(=O)c1cc(Br)cnc1F)C12CC(C1)C2.CN(C)c1ncc(B(O)O)cc1C(=O)N(C)C12CC(C1)C2.CN(C)c1ncc(Br)cc1C(=O)N(C)C12CC(C1)C2.CNC.Cc1nccc(Nc2cc(-c3cnc(N(C)C)c(C(=O)N(C)C45CC(C4)C5)c3)ccn2)n1.Cc1nccc(Nc2cc(Cl)ccn2)n1.NC12CC(C1)C2.O=C(NC12CC(C1)C2)c1cc(Br)cnc1F.O=C(O)c1cc(Br)cnc1F
• InChI: InChI=1S/C24H27N7O.C14H20BN3O3.C14H18BrN3O.C12H24B2O4.C12H12BrFN2O.C11H10BrFN2O.C10H9ClN4.C6H3BrFNO2.C5H9N.C2H7N.CH4/c1-15-25-8-6-20(28-15)29-21-10-17(5-7-26-21)18-9-19(22(27-14-18)30(2)3)23(32)31(4)24-11-16(12-24)13-24;1-17(2)12-11(4-10(8-16-12)15(20)21)13(19)18(3)14-5-9(6-14)7-14;1-17(2)12-11(4-10(15)8-16-12)13(19)18(3)14-5-9(6-14)7-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-16(12-3-7(4-12)5-12)11(17)9-2-8(13)6-15-10(9)14;12-7-1-8(9(13)14-5-7)10(16)15-11-2-6(3-11)4-11;1-7-12-5-3-9(14-7)15-10-6-8(11)2-4-13-10;7-3-1-4(6(10)11)5(8)9-2-3;6-5-1-4(2-5)3-5;1-3-2;/h5-10,14,16H,11-13H2,1-4H3,(H,25,26,28,29);4,8-9,20-21H,5-7H2,1-3H3;4,8-9H,5-7H2,1-3H3;1-8H3;2,6-7H,3-5H2,1H3;1,5-6H,2-4H2,(H,15,16);2-6H,1H3,(H,12,13,14,15);1-2H,(H,10,11);4H,1-3,6H2;3H,1-2H3;1H4
• InChIKey: ZINNANHSMYUOLP-UHFFFAOYSA-N
• XLogP: 18.01
• TPSA: 451.53 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2466.02
LogP ≤ 5	18.01
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoro-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoropyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;[5-[1-bicyclo[1.1.1]pentanyl(methyl)carbamoyl]-6-(dimethylamino)-3-pyridinyl]boronic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(4-chloro-2-pyridinyl)-2-methylpyrimidin-4-amine;methane;N-methylmethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoro-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoropyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;[5-[1-bicyclo[1.1.1]pentanyl(methyl)carbamoyl]-6-(dimethylamino)-3-pyridinyl]boronic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(4-chloro-2-pyridinyl)-2-methylpyrimidin-4-amine;methane;N-methylmethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 162129970) is bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoro-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoropyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;[5-[1-bicyclo[1.1.1]pentanyl(methyl)carbamoyl]-6-(dimethylamino)-3-pyridinyl]boronic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(4-chloro-2-pyridinyl)-2-methylpyrimidin-4-amine;methane;N-methylmethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoro-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoropyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;[5-[1-bicyclo[1.1.1]pentanyl(methyl)carbamoyl]-6-(dimethylamino)-3-pyridinyl]boronic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(4-chloro-2-pyridinyl)-2-methylpyrimidin-4-amine;methane;N-methylmethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoro-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoropyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;[5-[1-bicyclo[1.1.1]pentanyl(methyl)carbamoyl]-6-(dimethylamino)-3-pyridinyl]boronic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(4-chloro-2-pyridinyl)-2-methylpyrimidin-4-amine;methane;N-methylmethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN(C(=O)c1cc(Br)cnc1F)C12CC(C1)C2.CN(C)c1ncc(B(O)O)cc1C(=O)N(C)C12CC(C1)C2.CN(C)c1ncc(Br)cc1C(=O)N(C)C12CC(C1)C2.CNC.Cc1nccc(Nc2cc(-c3cnc(N(C)C)c(C(=O)N(C)C45CC(C4)C5)c3)ccn2)n1.Cc1nccc(Nc2cc(Cl)ccn2)n1.NC12CC(C1)C2.O=C(NC12CC(C1)C2)c1cc(Br)cnc1F.O=C(O)c1cc(Br)cnc1F.

What is the InChIKey of bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoro-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoropyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;[5-[1-bicyclo[1.1.1]pentanyl(methyl)carbamoyl]-6-(dimethylamino)-3-pyridinyl]boronic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(4-chloro-2-pyridinyl)-2-methylpyrimidin-4-amine;methane;N-methylmethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is ZINNANHSMYUOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O.C14H20BN3O3.C14H18BrN3O.C12H24B2O4.C12H12BrFN2O.C11H10BrFN2O.C10H9ClN4.C6H3BrFNO2.C5H9N.C2H7N.CH4/c1-15-25-8-6-20(28-15)29-21-10-17(5-7-26-21)18-9-19(22(27-14-18)30(2)3)23(32)31(4)24-11-16(12-24)13-24;1-17(2)12-11(4-10(8-16-12)15(20)21)13(19)18(3)14-5-9(6-14)7-14;1-17(2)12-11(4-10(15)8-16-12)13(19)18(3)14-5-9(6-14)7-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-16(12-3-7(4-12)5-12)11(17)9-2-8(13)6-15-10(9)14;12-7-1-8(9(13)14-5-7)10(16)15-11-2-6(3-11)4-11;1-7-12-5-3-9(14-7)15-10-6-8(11)2-4-13-10;7-3-1-4(6(10)11)5(8)9-2-3;6-5-1-4(2-5)3-5;1-3-2;/h5-10,14,16H,11-13H2,1-4H3,(H,25,26,28,29);4,8-9,20-21H,5-7H2,1-3H3;4,8-9H,5-7H2,1-3H3;1-8H3;2,6-7H,3-5H2,1H3;1,5-6H,2-4H2,(H,15,16);2-6H,1H3,(H,12,13,14,15);1-2H,(H,10,11);4H,1-3,6H2;3H,1-2H3;1H4.

What are the key properties of bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoro-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoropyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;[5-[1-bicyclo[1.1.1]pentanyl(methyl)carbamoyl]-6-(dimethylamino)-3-pyridinyl]boronic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(4-chloro-2-pyridinyl)-2-methylpyrimidin-4-amine;methane;N-methylmethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoro-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoropyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;[5-[1-bicyclo[1.1.1]pentanyl(methyl)carbamoyl]-6-(dimethylamino)-3-pyridinyl]boronic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(4-chloro-2-pyridinyl)-2-methylpyrimidin-4-amine;methane;N-methylmethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2466.02 g/mol, XLogP of 18.01, 21 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoro-N-methylpyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-fluoropyridine-3-carboxamide;N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;[5-[1-bicyclo[1.1.1]pentanyl(methyl)carbamoyl]-6-(dimethylamino)-3-pyridinyl]boronic acid;5-bromo-2-fluoropyridine-3-carboxylic acid;N-(4-chloro-2-pyridinyl)-2-methylpyrimidin-4-amine;methane;N-methylmethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 162129970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).