5-bromopyridine-2-carboxylic acid;tert-butyl 4-[(5-bromopyridine-2-carbonyl)-[[4-(4-methoxycarbonylphenyl)phenyl]methyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pent-1-ynylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;pent-1-yne

C139H164Br2N12O21 — CID 159763819

IUPAC5-bromopyridine-2-carboxylic acid;tert-butyl 4-[(5-bromopyridine-2-carbonyl)-[[4-(4-methoxycarbonylphenyl)phenyl]methyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pent-1-ynylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;pent-1-yne
SMILESC#CCCC.CCCC#Cc1ccc(C(=O)N(Cc2ccc(-c3ccc(C(=O)OC)cc3)cc2)C2CCN(C(=O)OC(C)(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccc(C(=O)OC)cc3)cc2)C2CCN(C(=O)OC(C)(C)C)CC2)nc1.COC(=O)c1ccc(-c2ccc(CN(C(=O)c3ccc(Br)cn3)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1.COC(=O)c1ccc(-c2ccc(CNC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1.O=C(O)c1ccc(Br)cn1
InChIInChI=1S/C36H45N3O5.C36H41N3O5.C31H34BrN3O5.C25H32N2O4.C6H4BrNO2.C5H8/c2*1-6-7-8-9-26-12-19-32(37-24-26)33(40)39(31-20-22-38(23-21-31)35(42)44-36(2,3)4)25-27-10-13-28(14-11-27)29-15-17-30(18-16-29)34(41)43-5;1-31(2,3)40-30(38)34-17-15-26(16-18-34)35(28(36)27-14-13-25(32)19-33-27)20-21-5-7-22(8-6-21)23-9-11-24(12-10-23)29(37)39-4;1-25(2,3)31-24(29)27-15-13-22(14-16-27)26-17-18-5-7-19(8-6-18)20-9-11-21(12-10-20)23(28)30-4;7-4-1-2-5(6(9)10)8-3-4;1-3-5-4-2/h10-19,24,31H,6-9,20-23,25H2,1-5H3;10-19,24,31H,6-7,20-23,25H2,1-5H3;5-14,19,26H,15-18,20H2,1-4H3;5-12,22,26H,13-17H2,1-4H3;1-3H,(H,9,10);1H,4-5H2,2H3
InChIKeyNFFWZJYKPGDZHZ-UHFFFAOYSA-N
MW2498.71 g/mol
LogP27.97
Rot. Bonds30

About 5-bromopyridine-2-carboxylic acid;tert-butyl 4-[(5-bromopyridine-2-carbonyl)-[[4-(4-methoxycarbonylphenyl)phenyl]methyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pent-1-ynylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;pent-1-yne

5-bromopyridine-2-carboxylic acid;tert-butyl 4-[(5-bromopyridine-2-carbonyl)-[[4-(4-methoxycarbonylphenyl)phenyl]methyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pent-1-ynylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;pent-1-yne (PubChem CID 159763819) has the molecular formula C139H164Br2N12O21 and a molecular weight of 2498.71 g/mol. Its IUPAC name is 5-bromopyridine-2-carboxylic acid;tert-butyl 4-[(5-bromopyridine-2-carbonyl)-[[4-(4-methoxycarbonylphenyl)phenyl]methyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pent-1-ynylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;pent-1-yne.

Molecular Properties

Compound Name5-bromopyridine-2-carboxylic acid;tert-butyl 4-[(5-bromopyridine-2-carbonyl)-[[4-(4-methoxycarbonylphenyl)phenyl]methyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pent-1-ynylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;pent-1-yne
PubChem CID159763819
Molecular FormulaC139H164Br2N12O21
Molecular Weight2498.71 g/mol
Exact Mass2495.05
IUPAC Name5-bromopyridine-2-carboxylic acid;tert-butyl 4-[(5-bromopyridine-2-carbonyl)-[[4-(4-methoxycarbonylphenyl)phenyl]methyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pent-1-ynylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;pent-1-yne
SMILESC#CCCC.CCCC#Cc1ccc(C(=O)N(Cc2ccc(-c3ccc(C(=O)OC)cc3)cc2)C2CCN(C(=O)OC(C)(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccc(C(=O)OC)cc3)cc2)C2CCN(C(=O)OC(C)(C)C)CC2)nc1.COC(=O)c1ccc(-c2ccc(CN(C(=O)c3ccc(Br)cn3)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1.COC(=O)c1ccc(-c2ccc(CNC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1.O=C(O)c1ccc(Br)cn1
InChIInChI=1S/C36H45N3O5.C36H41N3O5.C31H34BrN3O5.C25H32N2O4.C6H4BrNO2.C5H8/c2*1-6-7-8-9-26-12-19-32(37-24-26)33(40)39(31-20-22-38(23-21-31)35(42)44-36(2,3)4)25-27-10-13-28(14-11-27)29-15-17-30(18-16-29)34(41)43-5;1-31(2,3)40-30(38)34-17-15-26(16-18-34)35(28(36)27-14-13-25(32)19-33-27)20-21-5-7-22(8-6-21)23-9-11-24(12-10-23)29(37)39-4;1-25(2,3)31-24(29)27-15-13-22(14-16-27)26-17-18-5-7-19(8-6-18)20-9-11-21(12-10-20)23(28)30-4;7-4-1-2-5(6(9)10)8-3-4;1-3-5-4-2/h10-19,24,31H,6-9,20-23,25H2,1-5H3;10-19,24,31H,6-7,20-23,25H2,1-5H3;5-14,19,26H,15-18,20H2,1-4H3;5-12,22,26H,13-17H2,1-4H3;1-3H,(H,9,10);1H,4-5H2,2H3
InChIKeyNFFWZJYKPGDZHZ-UHFFFAOYSA-N
XLogP27.97
TPSA385.18 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002498.71
LogP ≤ 527.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-bromopyridine-2-carboxylic acid;tert-butyl 4-[(5-bromopyridine-2-carbonyl)-[[4-(4-methoxycarbonylphenyl)phenyl]methyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pent-1-ynylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;pent-1-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 5-bromopyridine-2-carboxylate;tert-butyl 5-pyrazin-2-ylpyridine-2-carboxylate;methane;palladium;bis(5-pyrazin-2-ylpyridine-2-carboxylic acid);5-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide;tributyl(pyrazin-2-yl)stannane;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;tetrakis(triphenylphosphane)
CID 157134852
1-[(4S,5R)-5-[4-[6-[1-(benzylamino)-2,2,2-trifluoroethyl]-3-pyridinyl]phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]-2,2-difluoroethanone;N-benzyl-1-(5-bromo-2-pyridinyl)-2,2,2-trifluoroethanamine;N-benzyl-1-(5-bromo-2-pyridinyl)-2,2,2-trifluoroethanimine;1-(5-bromo-2-pyridinyl)-2,2,2-trifluoroethanone;2,5-dibromopyridine;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;ethyl 2,2,2-trifluoroacetate
CID 157466495
1-(5-bromo-2-pyridinyl)-2,2,2-trifluoroethanone;1-(5-bromo-2-pyridinyl)-2,2,2-trifluoro-N-methylethanamine;1-(5-bromo-2-pyridinyl)-2,2,2-trifluoro-N-methylethanimine;2,2-difluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[6-[2,2,2-trifluoro-1-(methylamino)ethyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-[6-[2,2,2-trifluoro-1-(methylamino)ethyl]-3-pyridinyl]phenyl]-1,3-oxazolidin-3-yl]ethanone
CID 158176548
N-[(1R,2S)-1-[4-[6-(1-amino-2,2,2-trifluoroethyl)-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide;1-[(4S,5R)-5-[4-[6-(1-amino-2,2,2-trifluoroethyl)-3-pyridinyl]phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]-2,2-difluoroethanone;1-[(4S,5R)-5-[4-[6-[1-(benzylamino)-2,2,2-trifluoroethyl]-3-pyridinyl]phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]-2,2-difluoroethanone;N-benzyl-1-(5-bromo-2-pyridinyl)-2,2,2-trifluoroethanamine;N-benzyl-1-(5-bromo-2-pyridinyl)-2,2,2-trifluoroethanimine;1-(5-bromo-2-pyridinyl)-2,2,2-trifluoroethanone;2,5-dibromopyridine;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;ethyl 2,2,2-trifluoroacetate
CID 158198446
sodium;tert-butyl 4-[6-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methylcarbamoyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;[6-[2-(difluoromethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methanamine;N-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-piperazin-1-ylpyridine-2-carboxamide;methane;methyl 5-bromopyridine-2-carboxylate;methyl carbonochloridate;methyl 4-[6-[[5-fluoro-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methylcarbamoyl]-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid;hydroxide
CID 158722630
(1-amino-2-methyl-1-oxopropan-2-yl)azanium;4-bromo-2-methylpyridine;tert-butyl N-(1-amino-1-oxopropan-2-yl)carbamate;1-hydroxy-2-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2-methyl-4-[4-(trifluoromethyl)phenyl]pyridine;2-methyl-2-[[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]propanamide;[4-(trifluoromethyl)phenyl]boronic acid;4-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde;[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol;chloride
CID 160002441
ditert-butyl 7-[[6-ethoxycarbonyl-4-[2-(4-methylphenyl)ethynyl]-2-pyridinyl]methyl]-1,4,7-triazonane-1,4-dicarboxylate;ditert-butyl 1,4,7-triazonane-1,4-dicarboxylate;ethyl 4-bromo-6-(hydroxymethyl)pyridine-2-carboxylate;ethyl 6-(bromomethyl)-4-[2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethynyl]pyridine-2-carboxylate;ethyl 6-(hydroxymethyl)-4-[2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethynyl]pyridine-2-carboxylate;ethyl 4-[2-(4-methylphenyl)ethynyl]-6-(1,4,7-triazonan-1-ylmethyl)pyridine-2-carboxylate;N-(4-ethynylphenyl)-2,2,2-trifluoroacetamide
CID 161782411
1-[(4S,5R)-5-[4-[6-[1-(benzylamino)-2,2,2-trifluoroethyl]-3-pyridinyl]phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-3-yl]-2,2-difluoroethanone;bis(N-benzyl-1-(5-bromo-2-pyridinyl)-2,2,2-trifluoroethanimine);1-(5-bromo-2-pyridinyl)-2,2,2-trifluoroethanone;2,5-dibromopyridine;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;ethyl 2,2,2-trifluoroacetate
CID 162227120
8-bromo-1,6-naphthyridine-2-carboxylic acid;8-bromo-N-[(1R)-1-phenylethyl]-1,6-naphthyridine-2-carboxamide;methane;(1R)-1-phenylethanamine
CID 157228091
2-(2-Amino-5-phenylphenyl)-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 157473886
benzyl N-[(2S)-1-oxo-1-(pyridin-2-ylmethylamino)octan-2-yl]carbamate;bis(tert-butyl (7S)-7-amino-8-oxo-8-(pyridin-2-ylmethylamino)octanoate);tert-butyl (7S)-8-oxo-7-(phenylmethoxycarbonylamino)-8-(pyridin-2-ylmethylamino)octanoate;6,7-dihydro-5H-quinolin-8-one;(2S)-8-[(2-methylpropan-2-yl)oxy]-8-oxo-2-(phenylmethoxycarbonylamino)octanoic acid
CID 157535060
tert-butyl 4-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-methoxycarbonylphenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;N-[[4-[(2,6-difluorophenyl)methylcarbamoyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]benzoic acid;methyl 4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]benzoate;methyl 4-[[(5-pentylpyridine-2-carbonyl)-piperidin-4-ylamino]methyl]benzoate;5-pentylpyridine-2-carboxylic acid
CID 157580367

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridine-2-carboxylic acid;tert-butyl 4-[(5-bromopyridine-2-carbonyl)-[[4-(4-methoxycarbonylphenyl)phenyl]methyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pent-1-ynylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;pent-1-yne?
The IUPAC name of 5-bromopyridine-2-carboxylic acid;tert-butyl 4-[(5-bromopyridine-2-carbonyl)-[[4-(4-methoxycarbonylphenyl)phenyl]methyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pent-1-ynylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;pent-1-yne (CID 159763819) is 5-bromopyridine-2-carboxylic acid;tert-butyl 4-[(5-bromopyridine-2-carbonyl)-[[4-(4-methoxycarbonylphenyl)phenyl]methyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pent-1-ynylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;pent-1-yne.
What is the SMILES notation for 5-bromopyridine-2-carboxylic acid;tert-butyl 4-[(5-bromopyridine-2-carbonyl)-[[4-(4-methoxycarbonylphenyl)phenyl]methyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pent-1-ynylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;pent-1-yne?
The canonical SMILES for 5-bromopyridine-2-carboxylic acid;tert-butyl 4-[(5-bromopyridine-2-carbonyl)-[[4-(4-methoxycarbonylphenyl)phenyl]methyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pent-1-ynylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;pent-1-yne is C#CCCC.CCCC#Cc1ccc(C(=O)N(Cc2ccc(-c3ccc(C(=O)OC)cc3)cc2)C2CCN(C(=O)OC(C)(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccc(C(=O)OC)cc3)cc2)C2CCN(C(=O)OC(C)(C)C)CC2)nc1.COC(=O)c1ccc(-c2ccc(CN(C(=O)c3ccc(Br)cn3)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1.COC(=O)c1ccc(-c2ccc(CNC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1.O=C(O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromopyridine-2-carboxylic acid;tert-butyl 4-[(5-bromopyridine-2-carbonyl)-[[4-(4-methoxycarbonylphenyl)phenyl]methyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pent-1-ynylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;pent-1-yne?
The InChIKey is NFFWZJYKPGDZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45N3O5.C36H41N3O5.C31H34BrN3O5.C25H32N2O4.C6H4BrNO2.C5H8/c2*1-6-7-8-9-26-12-19-32(37-24-26)33(40)39(31-20-22-38(23-21-31)35(42)44-36(2,3)4)25-27-10-13-28(14-11-27)29-15-17-30(18-16-29)34(41)43-5;1-31(2,3)40-30(38)34-17-15-26(16-18-34)35(28(36)27-14-13-25(32)19-33-27)20-21-5-7-22(8-6-21)23-9-11-24(12-10-23)29(37)39-4;1-25(2,3)31-24(29)27-15-13-22(14-16-27)26-17-18-5-7-19(8-6-18)20-9-11-21(12-10-20)23(28)30-4;7-4-1-2-5(6(9)10)8-3-4;1-3-5-4-2/h10-19,24,31H,6-9,20-23,25H2,1-5H3;10-19,24,31H,6-7,20-23,25H2,1-5H3;5-14,19,26H,15-18,20H2,1-4H3;5-12,22,26H,13-17H2,1-4H3;1-3H,(H,9,10);1H,4-5H2,2H3.
What are the key properties of 5-bromopyridine-2-carboxylic acid;tert-butyl 4-[(5-bromopyridine-2-carbonyl)-[[4-(4-methoxycarbonylphenyl)phenyl]methyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pent-1-ynylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;pent-1-yne?
5-bromopyridine-2-carboxylic acid;tert-butyl 4-[(5-bromopyridine-2-carbonyl)-[[4-(4-methoxycarbonylphenyl)phenyl]methyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pent-1-ynylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;pent-1-yne has a molecular weight of 2498.71 g/mol, XLogP of 27.97, 30 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridine-2-carboxylic acid;tert-butyl 4-[(5-bromopyridine-2-carbonyl)-[[4-(4-methoxycarbonylphenyl)phenyl]methyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methylamino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)phenyl]methyl-(5-pent-1-ynylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;pent-1-yne is sourced from PubChem (CID 159763819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).