2-[(1S)-1-(1-benzothiophene-2-carbonylamino)butyl]-N-hydroxypyridine-4-carboxamide;2-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2-methylpropyl]-N-hydroxypyrimidine-5-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-3-pyridinyl]propyl]-1-methylindole-2-carboxamide;N-hydroxy-2-[(1R)-2-methyl-1-[(4-methylphenyl)sulfonylamino]propyl]pyridine-4-carboxamide

C86H99N19O16S2 — CID 159112654

About 2-[(1S)-1-(1-benzothiophene-2-carbonylamino)butyl]-N-hydroxypyridine-4-carboxamide;2-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2-methylpropyl]-N-hydroxypyrimidine-5-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-3-pyridinyl]propyl]-1-methylindole-2-carboxamide;N-hydroxy-2-[(1R)-2-methyl-1-[(4-methylphenyl)sulfonylamino]propyl]pyridine-4-carboxamide

2-[(1S)-1-(1-benzothiophene-2-carbonylamino)butyl]-N-hydroxypyridine-4-carboxamide;2-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2-methylpropyl]-N-hydroxypyrimidine-5-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-3-pyridinyl]propyl]-1-methylindole-2-carboxamide;N-hydroxy-2-[(1R)-2-methyl-1-[(4-methylphenyl)sulfonylamino]propyl]pyridine-4-carboxamide (PubChem CID 159112654) has the molecular formula C86H99N19O16S2 and a molecular weight of 1718.99 g/mol. Its IUPAC name is 2-[(1S)-1-(1-benzothiophene-2-carbonylamino)butyl]-N-hydroxypyridine-4-carboxamide;2-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2-methylpropyl]-N-hydroxypyrimidine-5-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-3-pyridinyl]propyl]-1-methylindole-2-carboxamide;N-hydroxy-2-[(1R)-2-methyl-1-[(4-methylphenyl)sulfonylamino]propyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(1S)-1-(1-benzothiophene-2-carbonylamino)butyl]-N-hydroxypyridine-4-carboxamide;2-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2-methylpropyl]-N-hydroxypyrimidine-5-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-3-pyridinyl]propyl]-1-methylindole-2-carboxamide;N-hydroxy-2-[(1R)-2-methyl-1-[(4-methylphenyl)sulfonylamino]propyl]pyridine-4-carboxamide
• PubChem CID: 159112654
• Molecular Formula: C86H99N19O16S2
• Molecular Weight: 1718.99 g/mol
• Exact Mass: 1717.70
• IUPAC Name: 2-[(1S)-1-(1-benzothiophene-2-carbonylamino)butyl]-N-hydroxypyridine-4-carboxamide;2-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2-methylpropyl]-N-hydroxypyrimidine-5-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-3-pyridinyl]propyl]-1-methylindole-2-carboxamide;N-hydroxy-2-[(1R)-2-methyl-1-[(4-methylphenyl)sulfonylamino]propyl]pyridine-4-carboxamide
• SMILES: CC(C)[C@H](NC(=O)CN(C)C)c1ncc(C(=O)NO)cn1.CCC[C@H](NC(=O)c1cc2ccccc2s1)c1cc(C(=O)NO)ccn1.CC[C@H](NC(=O)c1cc2ccccc2n1C)c1cncc(C(=O)NO)c1.C[C@H](NC(=O)c1cc2ccccc2n1C)c1ccc(C(=O)NO)cn1.Cc1ccc(S(=O)(=O)N[C@@H](c2cc(C(=O)NO)ccn2)C(C)C)cc1
• InChI: InChI=1S/C19H20N4O3.C19H19N3O3S.C18H18N4O3.C17H21N3O4S.C13H21N5O3/c1-3-15(13-8-14(11-20-10-13)18(24)22-26)21-19(25)17-9-12-6-4-5-7-16(12)23(17)2;1-2-5-14(15-10-13(8-9-20-15)18(23)22-25)21-19(24)17-11-12-6-3-4-7-16(12)26-17;1-11(14-8-7-13(10-19-14)17(23)21-25)20-18(24)16-9-12-5-3-4-6-15(12)22(16)2;1-11(2)16(15-10-13(8-9-18-15)17(21)19-22)20-25(23,24)14-6-4-12(3)5-7-14;1-8(2)11(16-10(19)7-18(3)4)12-14-5-9(6-15-12)13(20)17-21/h4-11,15,26H,3H2,1-2H3,(H,21,25)(H,22,24);3-4,6-11,14,25H,2,5H2,1H3,(H,21,24)(H,22,23);3-11,25H,1-2H3,(H,20,24)(H,21,23);4-11,16,20,22H,1-3H3,(H,19,21);5-6,8,11,21H,7H2,1-4H3,(H,16,19)(H,17,20)/t15-;14-;11-;16-;11-/m00010/s1
• InChIKey: KERPEMMINWHQPE-PGXUIFNSSA-N
• XLogP: 10.60
• TPSA: 499.66 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1718.99
LogP ≤ 5	10.60
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'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 2-[(1S)-1-(1-benzothiophene-2-carbonylamino)butyl]-N-hydroxypyridine-4-carboxamide;2-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2-methylpropyl]-N-hydroxypyrimidine-5-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-3-pyridinyl]propyl]-1-methylindole-2-carboxamide;N-hydroxy-2-[(1R)-2-methyl-1-[(4-methylphenyl)sulfonylamino]propyl]pyridine-4-carboxamide?

The IUPAC name of 2-[(1S)-1-(1-benzothiophene-2-carbonylamino)butyl]-N-hydroxypyridine-4-carboxamide;2-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2-methylpropyl]-N-hydroxypyrimidine-5-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-3-pyridinyl]propyl]-1-methylindole-2-carboxamide;N-hydroxy-2-[(1R)-2-methyl-1-[(4-methylphenyl)sulfonylamino]propyl]pyridine-4-carboxamide (CID 159112654) is 2-[(1S)-1-(1-benzothiophene-2-carbonylamino)butyl]-N-hydroxypyridine-4-carboxamide;2-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2-methylpropyl]-N-hydroxypyrimidine-5-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-3-pyridinyl]propyl]-1-methylindole-2-carboxamide;N-hydroxy-2-[(1R)-2-methyl-1-[(4-methylphenyl)sulfonylamino]propyl]pyridine-4-carboxamide.

What is the SMILES notation for 2-[(1S)-1-(1-benzothiophene-2-carbonylamino)butyl]-N-hydroxypyridine-4-carboxamide;2-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2-methylpropyl]-N-hydroxypyrimidine-5-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-3-pyridinyl]propyl]-1-methylindole-2-carboxamide;N-hydroxy-2-[(1R)-2-methyl-1-[(4-methylphenyl)sulfonylamino]propyl]pyridine-4-carboxamide?

The canonical SMILES for 2-[(1S)-1-(1-benzothiophene-2-carbonylamino)butyl]-N-hydroxypyridine-4-carboxamide;2-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2-methylpropyl]-N-hydroxypyrimidine-5-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-3-pyridinyl]propyl]-1-methylindole-2-carboxamide;N-hydroxy-2-[(1R)-2-methyl-1-[(4-methylphenyl)sulfonylamino]propyl]pyridine-4-carboxamide is CC(C)[C@H](NC(=O)CN(C)C)c1ncc(C(=O)NO)cn1.CCC[C@H](NC(=O)c1cc2ccccc2s1)c1cc(C(=O)NO)ccn1.CC[C@H](NC(=O)c1cc2ccccc2n1C)c1cncc(C(=O)NO)c1.C[C@H](NC(=O)c1cc2ccccc2n1C)c1ccc(C(=O)NO)cn1.Cc1ccc(S(=O)(=O)N[C@@H](c2cc(C(=O)NO)ccn2)C(C)C)cc1.

What is the InChIKey of 2-[(1S)-1-(1-benzothiophene-2-carbonylamino)butyl]-N-hydroxypyridine-4-carboxamide;2-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2-methylpropyl]-N-hydroxypyrimidine-5-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-3-pyridinyl]propyl]-1-methylindole-2-carboxamide;N-hydroxy-2-[(1R)-2-methyl-1-[(4-methylphenyl)sulfonylamino]propyl]pyridine-4-carboxamide?

The InChIKey is KERPEMMINWHQPE-PGXUIFNSSA-N. The full InChI is InChI=1S/C19H20N4O3.C19H19N3O3S.C18H18N4O3.C17H21N3O4S.C13H21N5O3/c1-3-15(13-8-14(11-20-10-13)18(24)22-26)21-19(25)17-9-12-6-4-5-7-16(12)23(17)2;1-2-5-14(15-10-13(8-9-20-15)18(23)22-25)21-19(24)17-11-12-6-3-4-7-16(12)26-17;1-11(14-8-7-13(10-19-14)17(23)21-25)20-18(24)16-9-12-5-3-4-6-15(12)22(16)2;1-11(2)16(15-10-13(8-9-18-15)17(21)19-22)20-25(23,24)14-6-4-12(3)5-7-14;1-8(2)11(16-10(19)7-18(3)4)12-14-5-9(6-15-12)13(20)17-21/h4-11,15,26H,3H2,1-2H3,(H,21,25)(H,22,24);3-4,6-11,14,25H,2,5H2,1H3,(H,21,24)(H,22,23);3-11,25H,1-2H3,(H,20,24)(H,21,23);4-11,16,20,22H,1-3H3,(H,19,21);5-6,8,11,21H,7H2,1-4H3,(H,16,19)(H,17,20)/t15-;14-;11-;16-;11-/m00010/s1.

What are the key properties of 2-[(1S)-1-(1-benzothiophene-2-carbonylamino)butyl]-N-hydroxypyridine-4-carboxamide;2-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2-methylpropyl]-N-hydroxypyrimidine-5-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-3-pyridinyl]propyl]-1-methylindole-2-carboxamide;N-hydroxy-2-[(1R)-2-methyl-1-[(4-methylphenyl)sulfonylamino]propyl]pyridine-4-carboxamide?

2-[(1S)-1-(1-benzothiophene-2-carbonylamino)butyl]-N-hydroxypyridine-4-carboxamide;2-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2-methylpropyl]-N-hydroxypyrimidine-5-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-3-pyridinyl]propyl]-1-methylindole-2-carboxamide;N-hydroxy-2-[(1R)-2-methyl-1-[(4-methylphenyl)sulfonylamino]propyl]pyridine-4-carboxamide has a molecular weight of 1718.99 g/mol, XLogP of 10.60, 27 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-1-(1-benzothiophene-2-carbonylamino)butyl]-N-hydroxypyridine-4-carboxamide;2-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2-methylpropyl]-N-hydroxypyrimidine-5-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide;N-[(1S)-1-[5-(hydroxycarbamoyl)-3-pyridinyl]propyl]-1-methylindole-2-carboxamide;N-hydroxy-2-[(1R)-2-methyl-1-[(4-methylphenyl)sulfonylamino]propyl]pyridine-4-carboxamide is sourced from PubChem (CID 159112654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).