N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;2-hydroxy-1-[2-[2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)ethyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide

C130H140N28O24S6 — CID 159046596

IUPACN-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;2-hydroxy-1-[2-[2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)ethyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESO=C(CO)c1cnc(CCC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(NO)c1cnc(NC2CCCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)nc1.O=C(NO)c1cnc(NC2CCCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(NO)c1cnc(NC2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)nc1.O=C(NO)c1cnc(NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(NO)c1cnc(NCC2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)nc1
InChIInChI=1S/C23H25N5O4S.C23H25N3O4S.C22H23N5O4S.2C21H23N5O4S.C20H21N5O4S/c29-22(27-30)19-15-24-23(25-16-19)26-20-7-4-13-28(14-12-20)33(31,32)21-10-8-18(9-11-21)17-5-2-1-3-6-17;27-16-22(28)20-14-24-23(25-15-20)8-5-17-9-11-26(12-10-17)31(29,30)21-7-6-18-3-1-2-4-19(18)13-21;28-21(26-29)18-14-23-22(24-15-18)25-19-10-12-27(13-11-19)32(30,31)20-8-6-17(7-9-20)16-4-2-1-3-5-16;27-20(25-28)18-12-23-21(24-13-18)22-11-15-4-3-9-26(14-15)31(29,30)19-8-7-16-5-1-2-6-17(16)10-19;27-20(25-28)17-13-22-21(23-14-17)24-18-6-3-10-26(11-9-18)31(29,30)19-8-7-15-4-1-2-5-16(15)12-19;26-19(24-27)16-12-21-20(22-13-16)23-17-7-9-25(10-8-17)30(28,29)18-6-5-14-3-1-2-4-15(14)11-18/h1-3,5-6,8-11,15-16,20,30H,4,7,12-14H2,(H,27,29)(H,24,25,26);1-4,6-7,13-15,17,27H,5,8-12,16H2;1-9,14-15,19,29H,10-13H2,(H,26,28)(H,23,24,25);1-2,5-8,10,12-13,15,28H,3-4,9,11,14H2,(H,25,27)(H,22,23,24);1-2,4-5,7-8,12-14,18,28H,3,6,9-11H2,(H,25,27)(H,22,23,24);1-6,11-13,17,27H,7-10H2,(H,24,26)(H,21,22,23)
InChIKeyJWSRUSNWRYVSCJ-UHFFFAOYSA-N
MW2671.12 g/mol
LogP14.96
Rot. Bonds35

About N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;2-hydroxy-1-[2-[2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)ethyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide

N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;2-hydroxy-1-[2-[2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)ethyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide (PubChem CID 159046596) has the molecular formula C130H140N28O24S6 and a molecular weight of 2671.12 g/mol. Its IUPAC name is N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;2-hydroxy-1-[2-[2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)ethyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;2-hydroxy-1-[2-[2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)ethyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
PubChem CID159046596
Molecular FormulaC130H140N28O24S6
Molecular Weight2671.12 g/mol
Exact Mass2668.89
IUPAC NameN-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;2-hydroxy-1-[2-[2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)ethyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESO=C(CO)c1cnc(CCC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(NO)c1cnc(NC2CCCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)nc1.O=C(NO)c1cnc(NC2CCCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(NO)c1cnc(NC2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)nc1.O=C(NO)c1cnc(NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(NO)c1cnc(NCC2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)nc1
InChIInChI=1S/C23H25N5O4S.C23H25N3O4S.C22H23N5O4S.2C21H23N5O4S.C20H21N5O4S/c29-22(27-30)19-15-24-23(25-16-19)26-20-7-4-13-28(14-12-20)33(31,32)21-10-8-18(9-11-21)17-5-2-1-3-6-17;27-16-22(28)20-14-24-23(25-15-20)8-5-17-9-11-26(12-10-17)31(29,30)21-7-6-18-3-1-2-4-19(18)13-21;28-21(26-29)18-14-23-22(24-15-18)25-19-10-12-27(13-11-19)32(30,31)20-8-6-17(7-9-20)16-4-2-1-3-5-16;27-20(25-28)18-12-23-21(24-13-18)22-11-15-4-3-9-26(14-15)31(29,30)19-8-7-16-5-1-2-6-17(16)10-19;27-20(25-28)17-13-22-21(23-14-17)24-18-6-3-10-26(11-9-18)31(29,30)19-8-7-15-4-1-2-5-16(15)12-19;26-19(24-27)16-12-21-20(22-13-16)23-17-7-9-25(10-8-17)30(28,29)18-6-5-14-3-1-2-4-15(14)11-18/h1-3,5-6,8-11,15-16,20,30H,4,7,12-14H2,(H,27,29)(H,24,25,26);1-4,6-7,13-15,17,27H,5,8-12,16H2;1-9,14-15,19,29H,10-13H2,(H,26,28)(H,23,24,25);1-2,5-8,10,12-13,15,28H,3-4,9,11,14H2,(H,25,27)(H,22,23,24);1-2,4-5,7-8,12-14,18,28H,3,6,9-11H2,(H,25,27)(H,22,23,24);1-6,11-13,17,27H,7-10H2,(H,24,26)(H,21,22,23)
InChIKeyJWSRUSNWRYVSCJ-UHFFFAOYSA-N
XLogP14.96
TPSA723.06 Ų
H-Bond Donors16
H-Bond Acceptors41
Rotatable Bonds35
Heavy Atoms188
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002671.12
LogP ≤ 514.96
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;2-hydroxy-1-[2-[2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)ethyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;2-hydroxy-1-[2-[2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)ethyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;2-hydroxy-1-[2-[2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)ethyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide (CID 159046596) is N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;2-hydroxy-1-[2-[2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)ethyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;2-hydroxy-1-[2-[2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)ethyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;2-hydroxy-1-[2-[2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)ethyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide is O=C(CO)c1cnc(CCC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(NO)c1cnc(NC2CCCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)nc1.O=C(NO)c1cnc(NC2CCCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(NO)c1cnc(NC2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)nc1.O=C(NO)c1cnc(NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(NO)c1cnc(NCC2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)nc1.
What is the InChIKey of N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;2-hydroxy-1-[2-[2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)ethyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is JWSRUSNWRYVSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S.C23H25N3O4S.C22H23N5O4S.2C21H23N5O4S.C20H21N5O4S/c29-22(27-30)19-15-24-23(25-16-19)26-20-7-4-13-28(14-12-20)33(31,32)21-10-8-18(9-11-21)17-5-2-1-3-6-17;27-16-22(28)20-14-24-23(25-15-20)8-5-17-9-11-26(12-10-17)31(29,30)21-7-6-18-3-1-2-4-19(18)13-21;28-21(26-29)18-14-23-22(24-15-18)25-19-10-12-27(13-11-19)32(30,31)20-8-6-17(7-9-20)16-4-2-1-3-5-16;27-20(25-28)18-12-23-21(24-13-18)22-11-15-4-3-9-26(14-15)31(29,30)19-8-7-16-5-1-2-6-17(16)10-19;27-20(25-28)17-13-22-21(23-14-17)24-18-6-3-10-26(11-9-18)31(29,30)19-8-7-15-4-1-2-5-16(15)12-19;26-19(24-27)16-12-21-20(22-13-16)23-17-7-9-25(10-8-17)30(28,29)18-6-5-14-3-1-2-4-15(14)11-18/h1-3,5-6,8-11,15-16,20,30H,4,7,12-14H2,(H,27,29)(H,24,25,26);1-4,6-7,13-15,17,27H,5,8-12,16H2;1-9,14-15,19,29H,10-13H2,(H,26,28)(H,23,24,25);1-2,5-8,10,12-13,15,28H,3-4,9,11,14H2,(H,25,27)(H,22,23,24);1-2,4-5,7-8,12-14,18,28H,3,6,9-11H2,(H,25,27)(H,22,23,24);1-6,11-13,17,27H,7-10H2,(H,24,26)(H,21,22,23).
What are the key properties of N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;2-hydroxy-1-[2-[2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)ethyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;2-hydroxy-1-[2-[2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)ethyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 2671.12 g/mol, XLogP of 14.96, 35 rotatable bonds, 16 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;2-hydroxy-1-[2-[2-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)ethyl]pyrimidin-5-yl]ethanone;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 159046596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).