bis(4-amino-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide;N-benzyl-4-bromo-N-hydroxypyridine-2-carboxamide;bis(N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran

C114H122Br4N18O20 — CID 160529743

About bis(4-amino-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide;N-benzyl-4-bromo-N-hydroxypyridine-2-carboxamide;bis(N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran

bis(4-amino-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide;N-benzyl-4-bromo-N-hydroxypyridine-2-carboxamide;bis(N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran (PubChem CID 160529743) has the molecular formula C114H122Br4N18O20 and a molecular weight of 2383.95 g/mol. Its IUPAC name is bis(4-amino-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide;N-benzyl-4-bromo-N-hydroxypyridine-2-carboxamide;bis(N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran.

Molecular Properties

• Compound Name: bis(4-amino-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide;N-benzyl-4-bromo-N-hydroxypyridine-2-carboxamide;bis(N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran
• PubChem CID: 160529743
• Molecular Formula: C114H122Br4N18O20
• Molecular Weight: 2383.95 g/mol
• Exact Mass: 2378.58
• IUPAC Name: bis(4-amino-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide;N-benzyl-4-bromo-N-hydroxypyridine-2-carboxamide;bis(N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran
• SMILES: C1=COCCC1.Nc1ccnc(C(=O)N(Cc2ccccc2)OC2CCCCO2)c1.Nc1ccnc(C(=O)N(Cc2ccccc2)OC2CCCCO2)c1.O=C(O)c1cc(Br)ccn1.O=C(c1cc(Br)ccn1)N(Cc1ccccc1)OC1CCCCO1.O=C(c1cc(Br)ccn1)N(Cc1ccccc1)OC1CCCCO1.O=C(c1cc(Br)ccn1)N(O)Cc1ccccc1.[N-]=[N+]=Nc1ccnc(C(=O)N(Cc2ccccc2)OC2CCCCO2)c1
• InChI: InChI=1S/2C18H19BrN2O3.C18H19N5O3.2C18H21N3O3.C13H11BrN2O2.C6H4BrNO2.C5H8O/c2*19-15-9-10-20-16(12-15)18(22)21(13-14-6-2-1-3-7-14)24-17-8-4-5-11-23-17;19-22-21-15-9-10-20-16(12-15)18(24)23(13-14-6-2-1-3-7-14)26-17-8-4-5-11-25-17;2*19-15-9-10-20-16(12-15)18(22)21(13-14-6-2-1-3-7-14)24-17-8-4-5-11-23-17;14-11-6-7-15-12(8-11)13(17)16(18)9-10-4-2-1-3-5-10;7-4-1-2-8-5(3-4)6(9)10;1-2-4-6-5-3-1/h2*1-3,6-7,9-10,12,17H,4-5,8,11,13H2;1-3,6-7,9-10,12,17H,4-5,8,11,13H2;2*1-3,6-7,9-10,12,17H,4-5,8,11,13H2,(H2,19,20);1-8,18H,9H2;1-3H,(H,9,10);2,4H,1,3,5H2
• InChIKey: QVJPMQAVQKYDBR-UHFFFAOYSA-N
• XLogP: 23.27
• TPSA: 471.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 30
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2383.95
LogP ≤ 5	23.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(4-amino-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide;N-benzyl-4-bromo-N-hydroxypyridine-2-carboxamide;bis(N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran?

The IUPAC name of bis(4-amino-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide;N-benzyl-4-bromo-N-hydroxypyridine-2-carboxamide;bis(N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran (CID 160529743) is bis(4-amino-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide;N-benzyl-4-bromo-N-hydroxypyridine-2-carboxamide;bis(N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran.

What is the SMILES notation for bis(4-amino-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide;N-benzyl-4-bromo-N-hydroxypyridine-2-carboxamide;bis(N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran?

The canonical SMILES for bis(4-amino-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide;N-benzyl-4-bromo-N-hydroxypyridine-2-carboxamide;bis(N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran is C1=COCCC1.Nc1ccnc(C(=O)N(Cc2ccccc2)OC2CCCCO2)c1.Nc1ccnc(C(=O)N(Cc2ccccc2)OC2CCCCO2)c1.O=C(O)c1cc(Br)ccn1.O=C(c1cc(Br)ccn1)N(Cc1ccccc1)OC1CCCCO1.O=C(c1cc(Br)ccn1)N(Cc1ccccc1)OC1CCCCO1.O=C(c1cc(Br)ccn1)N(O)Cc1ccccc1.[N-]=[N+]=Nc1ccnc(C(=O)N(Cc2ccccc2)OC2CCCCO2)c1.

What is the InChIKey of bis(4-amino-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide;N-benzyl-4-bromo-N-hydroxypyridine-2-carboxamide;bis(N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran?

The InChIKey is QVJPMQAVQKYDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H19BrN2O3.C18H19N5O3.2C18H21N3O3.C13H11BrN2O2.C6H4BrNO2.C5H8O/c2*19-15-9-10-20-16(12-15)18(22)21(13-14-6-2-1-3-7-14)24-17-8-4-5-11-23-17;19-22-21-15-9-10-20-16(12-15)18(24)23(13-14-6-2-1-3-7-14)26-17-8-4-5-11-25-17;2*19-15-9-10-20-16(12-15)18(22)21(13-14-6-2-1-3-7-14)24-17-8-4-5-11-23-17;14-11-6-7-15-12(8-11)13(17)16(18)9-10-4-2-1-3-5-10;7-4-1-2-8-5(3-4)6(9)10;1-2-4-6-5-3-1/h2*1-3,6-7,9-10,12,17H,4-5,8,11,13H2;1-3,6-7,9-10,12,17H,4-5,8,11,13H2;2*1-3,6-7,9-10,12,17H,4-5,8,11,13H2,(H2,19,20);1-8,18H,9H2;1-3H,(H,9,10);2,4H,1,3,5H2.

What are the key properties of bis(4-amino-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide;N-benzyl-4-bromo-N-hydroxypyridine-2-carboxamide;bis(N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran?

bis(4-amino-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide;N-benzyl-4-bromo-N-hydroxypyridine-2-carboxamide;bis(N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran has a molecular weight of 2383.95 g/mol, XLogP of 23.27, 30 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-amino-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide;N-benzyl-4-bromo-N-hydroxypyridine-2-carboxamide;bis(N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide);4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran is sourced from PubChem (CID 160529743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).