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

C78H82Br3N13O14 — CID 158762240

IUPAC4-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;N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran
SMILESC1=COCCC1.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(O)Cc1ccccc1.[N-]=[N+]=Nc1ccnc(C(=O)N(Cc2ccccc2)OC2CCCCO2)c1
InChIInChI=1S/C18H19BrN2O3.C18H19N5O3.C18H21N3O3.C13H11BrN2O2.C6H4BrNO2.C5H8O/c19-15-9-10-20-16(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;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/h1-3,6-7,9-10,12,17H,4-5,8,11,13H2;1-3,6-7,9-10,12,17H,4-5,8,11,13H2;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
InChIKeyIOUZBMAPUQURNT-UHFFFAOYSA-N
MW1665.30 g/mol
LogP16.56
Rot. Bonds20

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

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;N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran (PubChem CID 158762240) has the molecular formula C78H82Br3N13O14 and a molecular weight of 1665.30 g/mol. Its IUPAC name is 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;N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name4-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;N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran
PubChem CID158762240
Molecular FormulaC78H82Br3N13O14
Molecular Weight1665.30 g/mol
Exact Mass1661.37
IUPAC Name4-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;N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran
SMILESC1=COCCC1.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(O)Cc1ccccc1.[N-]=[N+]=Nc1ccnc(C(=O)N(Cc2ccccc2)OC2CCCCO2)c1
InChIInChI=1S/C18H19BrN2O3.C18H19N5O3.C18H21N3O3.C13H11BrN2O2.C6H4BrNO2.C5H8O/c19-15-9-10-20-16(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;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/h1-3,6-7,9-10,12,17H,4-5,8,11,13H2;1-3,6-7,9-10,12,17H,4-5,8,11,13H2;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
InChIKeyIOUZBMAPUQURNT-UHFFFAOYSA-N
XLogP16.56
TPSA342.61 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001665.30
LogP ≤ 516.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

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'}

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Related Compounds

bis(N-benzyl-4-[benzyl(methyl)amino]-N-hydroxypyridine-2-carboxamide);4-[benzyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-[benzyl(methyl)amino]pyridine-2-carboxylate;methyl 4-bromopyridine-2-carboxylate
CID 158490187
4-amino-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide;N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide
CID 159673723
N-benzyl-4-[benzyl(methyl)amino]-N-hydroxypyridine-2-carboxamide;4-[benzyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-[benzyl(methyl)amino]pyridine-2-carboxylate;methyl 4-bromopyridine-2-carboxylate
CID 159783155
bis(4-(benzylamino)-N-hydroxypyridine-2-carboxamide);4-(benzylamino)-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromo-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid
CID 160205499
4-bromo-N-[(4-fluorophenyl)methyl]-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;ethane;bis(N-[(4-fluorophenyl)methyl]-N-hydroxy-4-phenylpyridine-2-carboxamide);N-[(4-fluorophenyl)methyl]-N-(oxan-2-yloxy)-4-phenylpyridine-2-carboxamide
CID 160292111
4-bromo-N-[(4-fluorophenyl)methyl]-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;bis(N-[(4-fluorophenyl)methyl]-N-hydroxy-4-phenylpyridine-2-carboxamide);N-[(4-fluorophenyl)methyl]-N-(oxan-2-yloxy)-4-phenylpyridine-2-carboxamide
CID 160429365
bis(N-hydroxy-5-phenylpyridine-2-carboxamide);N-(oxan-2-yloxy)-5-phenylpyridine-2-carboxamide;5-phenylpyridine-2-carboxylic acid
CID 160498805
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
4-bromo-N-propylpyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;4-phenyl-N-propylpyridine-2-carboxamide;N-[(4-phenyl-2-pyridinyl)methyl]propan-1-amine;propan-1-amine
CID 160965846
4-(benzylamino)-N-hydroxypyridine-2-carboxamide;4-(benzylamino)-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromo-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid
CID 161456856

Frequently Asked Questions

What is the IUPAC name of 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;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 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;N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran (CID 158762240) is 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;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 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;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 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;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.O=C(O)c1cc(Br)ccn1.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 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;N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran?
The InChIKey is IOUZBMAPUQURNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3.C18H19N5O3.C18H21N3O3.C13H11BrN2O2.C6H4BrNO2.C5H8O/c19-15-9-10-20-16(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;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/h1-3,6-7,9-10,12,17H,4-5,8,11,13H2;1-3,6-7,9-10,12,17H,4-5,8,11,13H2;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 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;N-benzyl-4-bromo-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;3,4-dihydro-2H-pyran?
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;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 1665.30 g/mol, XLogP of 16.56, 20 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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;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 158762240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).