bis(4-[benzylsulfonyl(methyl)amino]-N-hydroxypyridine-2-carboxamide);4-[benzylsulfonyl(methyl)amino]-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-(benzylsulfonylamino)pyridine-2-carboxylate;methyl 4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylate

C90H97N15O25S6 — CID 161198594

IUPACbis(4-[benzylsulfonyl(methyl)amino]-N-hydroxypyridine-2-carboxamide);4-[benzylsulfonyl(methyl)amino]-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-(benzylsulfonylamino)pyridine-2-carboxylate;methyl 4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylate
SMILESCN(c1ccnc(C(=O)NO)c1)S(=O)(=O)Cc1ccccc1.CN(c1ccnc(C(=O)NO)c1)S(=O)(=O)Cc1ccccc1.CN(c1ccnc(C(=O)NOC2CCCCO2)c1)S(=O)(=O)Cc1ccccc1.CN(c1ccnc(C(=O)O)c1)S(=O)(=O)Cc1ccccc1.COC(=O)c1cc(N(C)S(=O)(=O)Cc2ccccc2)ccn1.COC(=O)c1cc(NS(=O)(=O)Cc2ccccc2)ccn1
InChIInChI=1S/C19H23N3O5S.C15H16N2O4S.2C14H15N3O4S.2C14H14N2O4S/c1-22(28(24,25)14-15-7-3-2-4-8-15)16-10-11-20-17(13-16)19(23)21-27-18-9-5-6-12-26-18;1-17(13-8-9-16-14(10-13)15(18)21-2)22(19,20)11-12-6-4-3-5-7-12;2*1-17(12-7-8-15-13(9-12)14(18)16-19)22(20,21)10-11-5-3-2-4-6-11;1-20-14(17)13-9-12(7-8-15-13)16-21(18,19)10-11-5-3-2-4-6-11;1-16(12-7-8-15-13(9-12)14(17)18)21(19,20)10-11-5-3-2-4-6-11/h2-4,7-8,10-11,13,18H,5-6,9,12,14H2,1H3,(H,21,23);3-10H,11H2,1-2H3;2*2-9,19H,10H2,1H3,(H,16,18);2-9H,10H2,1H3,(H,15,16);2-9H,10H2,1H3,(H,17,18)
InChIKeyUURIBNSWTVOIHU-UHFFFAOYSA-N
MW1981.25 g/mol
LogP9.96
Rot. Bonds32

About bis(4-[benzylsulfonyl(methyl)amino]-N-hydroxypyridine-2-carboxamide);4-[benzylsulfonyl(methyl)amino]-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-(benzylsulfonylamino)pyridine-2-carboxylate;methyl 4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylate

bis(4-[benzylsulfonyl(methyl)amino]-N-hydroxypyridine-2-carboxamide);4-[benzylsulfonyl(methyl)amino]-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-(benzylsulfonylamino)pyridine-2-carboxylate;methyl 4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylate (PubChem CID 161198594) has the molecular formula C90H97N15O25S6 and a molecular weight of 1981.25 g/mol. Its IUPAC name is bis(4-[benzylsulfonyl(methyl)amino]-N-hydroxypyridine-2-carboxamide);4-[benzylsulfonyl(methyl)amino]-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-(benzylsulfonylamino)pyridine-2-carboxylate;methyl 4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namebis(4-[benzylsulfonyl(methyl)amino]-N-hydroxypyridine-2-carboxamide);4-[benzylsulfonyl(methyl)amino]-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-(benzylsulfonylamino)pyridine-2-carboxylate;methyl 4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylate
PubChem CID161198594
Molecular FormulaC90H97N15O25S6
Molecular Weight1981.25 g/mol
Exact Mass1979.51
IUPAC Namebis(4-[benzylsulfonyl(methyl)amino]-N-hydroxypyridine-2-carboxamide);4-[benzylsulfonyl(methyl)amino]-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-(benzylsulfonylamino)pyridine-2-carboxylate;methyl 4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylate
SMILESCN(c1ccnc(C(=O)NO)c1)S(=O)(=O)Cc1ccccc1.CN(c1ccnc(C(=O)NO)c1)S(=O)(=O)Cc1ccccc1.CN(c1ccnc(C(=O)NOC2CCCCO2)c1)S(=O)(=O)Cc1ccccc1.CN(c1ccnc(C(=O)O)c1)S(=O)(=O)Cc1ccccc1.COC(=O)c1cc(N(C)S(=O)(=O)Cc2ccccc2)ccn1.COC(=O)c1cc(NS(=O)(=O)Cc2ccccc2)ccn1
InChIInChI=1S/C19H23N3O5S.C15H16N2O4S.2C14H15N3O4S.2C14H14N2O4S/c1-22(28(24,25)14-15-7-3-2-4-8-15)16-10-11-20-17(13-16)19(23)21-27-18-9-5-6-12-26-18;1-17(13-8-9-16-14(10-13)15(18)21-2)22(19,20)11-12-6-4-3-5-7-12;2*1-17(12-7-8-15-13(9-12)14(18)16-19)22(20,21)10-11-5-3-2-4-6-11;1-20-14(17)13-9-12(7-8-15-13)16-21(18,19)10-11-5-3-2-4-6-11;1-16(12-7-8-15-13(9-12)14(17)18)21(19,20)10-11-5-3-2-4-6-11/h2-4,7-8,10-11,13,18H,5-6,9,12,14H2,1H3,(H,21,23);3-10H,11H2,1-2H3;2*2-9,19H,10H2,1H3,(H,16,18);2-9H,10H2,1H3,(H,15,16);2-9H,10H2,1H3,(H,17,18)
InChIKeyUURIBNSWTVOIHU-UHFFFAOYSA-N
XLogP9.96
TPSA546.53 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds32
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001981.25
LogP ≤ 59.96
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bis(4-[benzylsulfonyl(methyl)amino]-N-hydroxypyridine-2-carboxamide);4-[benzylsulfonyl(methyl)amino]-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-(benzylsulfonylamino)pyridine-2-carboxylate;methyl 4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylate with MolForge

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Related Compounds

bis(4-benzamido-N-hydroxypyridine-2-carboxamide);methyl 4-aminopyridine-2-carboxylate;methyl 4-benzamidopyridine-2-carboxylate
CID 158702726
benzhydrylidenehydrazine;4-(benzhydrylsulfonylamino)-N-hydroxypyridine-2-carboxamide;4-(benzhydrylsulfonylamino)-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-(benzhydrylsulfonylamino)pyridine-2-carboxylic acid;methyl 4-aminopyridine-2-carboxylate;methyl 4-(benzhydrylsulfonylamino)pyridine-2-carboxylate;1-phenylethylbenzene
CID 159296072
4-[benzylsulfonyl(methyl)amino]-N-hydroxypyridine-2-carboxamide;4-[benzylsulfonyl(methyl)amino]-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-(benzylsulfonylamino)pyridine-2-carboxylate;methyl 4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylate
CID 159595550
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

Frequently Asked Questions

What is the IUPAC name of bis(4-[benzylsulfonyl(methyl)amino]-N-hydroxypyridine-2-carboxamide);4-[benzylsulfonyl(methyl)amino]-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-(benzylsulfonylamino)pyridine-2-carboxylate;methyl 4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylate?
The IUPAC name of bis(4-[benzylsulfonyl(methyl)amino]-N-hydroxypyridine-2-carboxamide);4-[benzylsulfonyl(methyl)amino]-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-(benzylsulfonylamino)pyridine-2-carboxylate;methyl 4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylate (CID 161198594) is bis(4-[benzylsulfonyl(methyl)amino]-N-hydroxypyridine-2-carboxamide);4-[benzylsulfonyl(methyl)amino]-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-(benzylsulfonylamino)pyridine-2-carboxylate;methyl 4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for bis(4-[benzylsulfonyl(methyl)amino]-N-hydroxypyridine-2-carboxamide);4-[benzylsulfonyl(methyl)amino]-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-(benzylsulfonylamino)pyridine-2-carboxylate;methyl 4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylate?
The canonical SMILES for bis(4-[benzylsulfonyl(methyl)amino]-N-hydroxypyridine-2-carboxamide);4-[benzylsulfonyl(methyl)amino]-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-(benzylsulfonylamino)pyridine-2-carboxylate;methyl 4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylate is CN(c1ccnc(C(=O)NO)c1)S(=O)(=O)Cc1ccccc1.CN(c1ccnc(C(=O)NO)c1)S(=O)(=O)Cc1ccccc1.CN(c1ccnc(C(=O)NOC2CCCCO2)c1)S(=O)(=O)Cc1ccccc1.CN(c1ccnc(C(=O)O)c1)S(=O)(=O)Cc1ccccc1.COC(=O)c1cc(N(C)S(=O)(=O)Cc2ccccc2)ccn1.COC(=O)c1cc(NS(=O)(=O)Cc2ccccc2)ccn1.
What is the InChIKey of bis(4-[benzylsulfonyl(methyl)amino]-N-hydroxypyridine-2-carboxamide);4-[benzylsulfonyl(methyl)amino]-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-(benzylsulfonylamino)pyridine-2-carboxylate;methyl 4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylate?
The InChIKey is UURIBNSWTVOIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S.C15H16N2O4S.2C14H15N3O4S.2C14H14N2O4S/c1-22(28(24,25)14-15-7-3-2-4-8-15)16-10-11-20-17(13-16)19(23)21-27-18-9-5-6-12-26-18;1-17(13-8-9-16-14(10-13)15(18)21-2)22(19,20)11-12-6-4-3-5-7-12;2*1-17(12-7-8-15-13(9-12)14(18)16-19)22(20,21)10-11-5-3-2-4-6-11;1-20-14(17)13-9-12(7-8-15-13)16-21(18,19)10-11-5-3-2-4-6-11;1-16(12-7-8-15-13(9-12)14(17)18)21(19,20)10-11-5-3-2-4-6-11/h2-4,7-8,10-11,13,18H,5-6,9,12,14H2,1H3,(H,21,23);3-10H,11H2,1-2H3;2*2-9,19H,10H2,1H3,(H,16,18);2-9H,10H2,1H3,(H,15,16);2-9H,10H2,1H3,(H,17,18).
What are the key properties of bis(4-[benzylsulfonyl(methyl)amino]-N-hydroxypyridine-2-carboxamide);4-[benzylsulfonyl(methyl)amino]-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-(benzylsulfonylamino)pyridine-2-carboxylate;methyl 4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylate?
bis(4-[benzylsulfonyl(methyl)amino]-N-hydroxypyridine-2-carboxamide);4-[benzylsulfonyl(methyl)amino]-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-(benzylsulfonylamino)pyridine-2-carboxylate;methyl 4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylate has a molecular weight of 1981.25 g/mol, XLogP of 9.96, 32 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[benzylsulfonyl(methyl)amino]-N-hydroxypyridine-2-carboxamide);4-[benzylsulfonyl(methyl)amino]-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-(benzylsulfonylamino)pyridine-2-carboxylate;methyl 4-[benzylsulfonyl(methyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 161198594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).