benzyl N-(5-bromo-3-pyridinyl)carbamate;5-bromopyridine-3-carboxylic acid;tert-butyl 4-(5-amino-3-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-(phenylmethoxycarbonylamino)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-methyl-N-(5-piperidin-4-yl-3-pyridinyl)propanamide

C87H114BBr2N13O15 — CID 157429935

About benzyl N-(5-bromo-3-pyridinyl)carbamate;5-bromopyridine-3-carboxylic acid;tert-butyl 4-(5-amino-3-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-(phenylmethoxycarbonylamino)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-methyl-N-(5-piperidin-4-yl-3-pyridinyl)propanamide

benzyl N-(5-bromo-3-pyridinyl)carbamate;5-bromopyridine-3-carboxylic acid;tert-butyl 4-(5-amino-3-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-(phenylmethoxycarbonylamino)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-methyl-N-(5-piperidin-4-yl-3-pyridinyl)propanamide (PubChem CID 157429935) has the molecular formula C87H114BBr2N13O15 and a molecular weight of 1752.56 g/mol. Its IUPAC name is benzyl N-(5-bromo-3-pyridinyl)carbamate;5-bromopyridine-3-carboxylic acid;tert-butyl 4-(5-amino-3-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-(phenylmethoxycarbonylamino)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-methyl-N-(5-piperidin-4-yl-3-pyridinyl)propanamide.

Molecular Properties

• Compound Name: benzyl N-(5-bromo-3-pyridinyl)carbamate;5-bromopyridine-3-carboxylic acid;tert-butyl 4-(5-amino-3-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-(phenylmethoxycarbonylamino)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-methyl-N-(5-piperidin-4-yl-3-pyridinyl)propanamide
• PubChem CID: 157429935
• Molecular Formula: C87H114BBr2N13O15
• Molecular Weight: 1752.56 g/mol
• Exact Mass: 1749.70
• IUPAC Name: benzyl N-(5-bromo-3-pyridinyl)carbamate;5-bromopyridine-3-carboxylic acid;tert-butyl 4-(5-amino-3-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-(phenylmethoxycarbonylamino)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-methyl-N-(5-piperidin-4-yl-3-pyridinyl)propanamide
• SMILES: CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cncc(NC(=O)OCc3ccccc3)c2)CC1.CC(C)(C)OC(=O)N1CCC(c2cncc(N)c2)CC1.CC(C)C(=O)Nc1cncc(C2CCNCC2)c1.O=C(Nc1cncc(Br)c1)OCc1ccccc1.O=C(O)c1cncc(Br)c1
• InChI: InChI=1S/C23H27N3O4.C16H28BNO4.C15H23N3O2.C14H21N3O.C13H11BrN2O2.C6H4BrNO2/c1-23(2,3)30-22(28)26-11-9-18(10-12-26)19-13-20(15-24-14-19)25-21(27)29-16-17-7-5-4-6-8-17;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-15(2,3)20-14(19)18-6-4-11(5-7-18)12-8-13(16)10-17-9-12;1-10(2)14(18)17-13-7-12(8-16-9-13)11-3-5-15-6-4-11;14-11-6-12(8-15-7-11)16-13(17)18-9-10-4-2-1-3-5-10;7-5-1-4(6(9)10)2-8-3-5/h4-9,13-15H,10-12,16H2,1-3H3,(H,25,27);8H,9-11H2,1-7H3;8-11H,4-7,16H2,1-3H3;7-11,15H,3-6H2,1-2H3,(H,17,18);1-8H,9H2,(H,16,17);1-3H,(H,9,10)
• InChIKey: BQKGBYJDEPPLEJ-UHFFFAOYSA-N
• XLogP: 18.10
• TPSA: 352.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1752.56
LogP ≤ 5	18.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-bromo-3-pyridinyl)carbamate;5-bromopyridine-3-carboxylic acid;tert-butyl 4-(5-amino-3-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-(phenylmethoxycarbonylamino)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-methyl-N-(5-piperidin-4-yl-3-pyridinyl)propanamide?

The IUPAC name of benzyl N-(5-bromo-3-pyridinyl)carbamate;5-bromopyridine-3-carboxylic acid;tert-butyl 4-(5-amino-3-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-(phenylmethoxycarbonylamino)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-methyl-N-(5-piperidin-4-yl-3-pyridinyl)propanamide (CID 157429935) is benzyl N-(5-bromo-3-pyridinyl)carbamate;5-bromopyridine-3-carboxylic acid;tert-butyl 4-(5-amino-3-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-(phenylmethoxycarbonylamino)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-methyl-N-(5-piperidin-4-yl-3-pyridinyl)propanamide.

What is the SMILES notation for benzyl N-(5-bromo-3-pyridinyl)carbamate;5-bromopyridine-3-carboxylic acid;tert-butyl 4-(5-amino-3-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-(phenylmethoxycarbonylamino)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-methyl-N-(5-piperidin-4-yl-3-pyridinyl)propanamide?

The canonical SMILES for benzyl N-(5-bromo-3-pyridinyl)carbamate;5-bromopyridine-3-carboxylic acid;tert-butyl 4-(5-amino-3-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-(phenylmethoxycarbonylamino)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-methyl-N-(5-piperidin-4-yl-3-pyridinyl)propanamide is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cncc(NC(=O)OCc3ccccc3)c2)CC1.CC(C)(C)OC(=O)N1CCC(c2cncc(N)c2)CC1.CC(C)C(=O)Nc1cncc(C2CCNCC2)c1.O=C(Nc1cncc(Br)c1)OCc1ccccc1.O=C(O)c1cncc(Br)c1.

What is the InChIKey of benzyl N-(5-bromo-3-pyridinyl)carbamate;5-bromopyridine-3-carboxylic acid;tert-butyl 4-(5-amino-3-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-(phenylmethoxycarbonylamino)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-methyl-N-(5-piperidin-4-yl-3-pyridinyl)propanamide?

The InChIKey is BQKGBYJDEPPLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4.C16H28BNO4.C15H23N3O2.C14H21N3O.C13H11BrN2O2.C6H4BrNO2/c1-23(2,3)30-22(28)26-11-9-18(10-12-26)19-13-20(15-24-14-19)25-21(27)29-16-17-7-5-4-6-8-17;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-15(2,3)20-14(19)18-6-4-11(5-7-18)12-8-13(16)10-17-9-12;1-10(2)14(18)17-13-7-12(8-16-9-13)11-3-5-15-6-4-11;14-11-6-12(8-15-7-11)16-13(17)18-9-10-4-2-1-3-5-10;7-5-1-4(6(9)10)2-8-3-5/h4-9,13-15H,10-12,16H2,1-3H3,(H,25,27);8H,9-11H2,1-7H3;8-11H,4-7,16H2,1-3H3;7-11,15H,3-6H2,1-2H3,(H,17,18);1-8H,9H2,(H,16,17);1-3H,(H,9,10).

What are the key properties of benzyl N-(5-bromo-3-pyridinyl)carbamate;5-bromopyridine-3-carboxylic acid;tert-butyl 4-(5-amino-3-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-(phenylmethoxycarbonylamino)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-methyl-N-(5-piperidin-4-yl-3-pyridinyl)propanamide?

benzyl N-(5-bromo-3-pyridinyl)carbamate;5-bromopyridine-3-carboxylic acid;tert-butyl 4-(5-amino-3-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-(phenylmethoxycarbonylamino)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-methyl-N-(5-piperidin-4-yl-3-pyridinyl)propanamide has a molecular weight of 1752.56 g/mol, XLogP of 18.10, 13 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-(5-bromo-3-pyridinyl)carbamate;5-bromopyridine-3-carboxylic acid;tert-butyl 4-(5-amino-3-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-(phenylmethoxycarbonylamino)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-methyl-N-(5-piperidin-4-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 157429935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).