2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-methylsulfonylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[(1-ethylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylamino]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

C115H149ClN30O12S — CID 159380213

IUPAC2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-methylsulfonylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[(1-ethylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylamino]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESCCN(Cc1cn(CC)c2ccccc12)CC1CCN(c2ncc(C(=O)NO)cn2)CC1.CCn1c(C)c(CCNC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21.CN(CCc1cn(C)c2ccccc12)CC1CCN(c2ncc(C(=O)NO)cn2)CC1.Cn1cc(CCN(CC2CCN(c3ncc(C(=O)NO)cn3)CC2)S(C)(=O)=O)c2cc(Cl)ccc21.Cn1cc(CCNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21
InChIInChI=1S/C24H32N6O2.C23H29ClN6O4S.2C23H30N6O2.C22H28N6O2/c1-3-28(16-20-17-29(4-2)22-8-6-5-7-21(20)22)15-18-9-11-30(12-10-18)24-25-13-19(14-26-24)23(31)27-32;1-28-15-17(20-11-19(24)3-4-21(20)28)7-10-30(35(2,33)34)14-16-5-8-29(9-6-16)23-25-12-18(13-26-23)22(31)27-32;1-27(10-9-18-16-28(2)21-6-4-3-5-20(18)21)15-17-7-11-29(12-8-17)23-24-13-19(14-25-23)22(30)26-31;1-3-29-16(2)19(20-6-4-5-7-21(20)29)8-11-24-18-9-12-28(13-10-18)23-25-14-17(15-26-23)22(30)27-31;1-27-15-17(19-4-2-3-5-20(19)27)6-9-23-12-16-7-10-28(11-8-16)22-24-13-18(14-25-22)21(29)26-30/h5-8,13-14,17-18,32H,3-4,9-12,15-16H2,1-2H3,(H,27,31);3-4,11-13,15-16,32H,5-10,14H2,1-2H3,(H,27,31);3-6,13-14,16-17,31H,7-12,15H2,1-2H3,(H,26,30);4-7,14-15,18,24,31H,3,8-13H2,1-2H3,(H,27,30);2-5,13-16,23,30H,6-12H2,1H3,(H,26,29)
InChIKeyLKUUPUWFOPOASL-UHFFFAOYSA-N
MW2211.17 g/mol
LogP13.06
Rot. Bonds37

About 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-methylsulfonylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[(1-ethylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylamino]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-methylsulfonylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[(1-ethylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylamino]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 159380213) has the molecular formula C115H149ClN30O12S and a molecular weight of 2211.17 g/mol. Its IUPAC name is 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-methylsulfonylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[(1-ethylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylamino]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-methylsulfonylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[(1-ethylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylamino]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
PubChem CID159380213
Molecular FormulaC115H149ClN30O12S
Molecular Weight2211.17 g/mol
Exact Mass2209.14
IUPAC Name2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-methylsulfonylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[(1-ethylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylamino]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESCCN(Cc1cn(CC)c2ccccc12)CC1CCN(c2ncc(C(=O)NO)cn2)CC1.CCn1c(C)c(CCNC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21.CN(CCc1cn(C)c2ccccc12)CC1CCN(c2ncc(C(=O)NO)cn2)CC1.Cn1cc(CCN(CC2CCN(c3ncc(C(=O)NO)cn3)CC2)S(C)(=O)=O)c2cc(Cl)ccc21.Cn1cc(CCNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21
InChIInChI=1S/C24H32N6O2.C23H29ClN6O4S.2C23H30N6O2.C22H28N6O2/c1-3-28(16-20-17-29(4-2)22-8-6-5-7-21(20)22)15-18-9-11-30(12-10-18)24-25-13-19(14-26-24)23(31)27-32;1-28-15-17(20-11-19(24)3-4-21(20)28)7-10-30(35(2,33)34)14-16-5-8-29(9-6-16)23-25-12-18(13-26-23)22(31)27-32;1-27(10-9-18-16-28(2)21-6-4-3-5-20(18)21)15-17-7-11-29(12-8-17)23-24-13-19(14-25-23)22(30)26-31;1-3-29-16(2)19(20-6-4-5-7-21(20)29)8-11-24-18-9-12-28(13-10-18)23-25-14-17(15-26-23)22(30)27-31;1-27-15-17(19-4-2-3-5-20(19)27)6-9-23-12-16-7-10-28(11-8-16)22-24-13-18(14-25-22)21(29)26-30/h5-8,13-14,17-18,32H,3-4,9-12,15-16H2,1-2H3,(H,27,31);3-4,11-13,15-16,32H,5-10,14H2,1-2H3,(H,27,31);3-6,13-14,16-17,31H,7-12,15H2,1-2H3,(H,26,30);4-7,14-15,18,24,31H,3,8-13H2,1-2H3,(H,27,30);2-5,13-16,23,30H,6-12H2,1H3,(H,26,29)
InChIKeyLKUUPUWFOPOASL-UHFFFAOYSA-N
XLogP13.06
TPSA484.32 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds37
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002211.17
LogP ≤ 513.06
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-methylsulfonylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[(1-ethylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylamino]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-methylsulfonylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[(1-ethylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylamino]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-methylsulfonylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[(1-ethylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylamino]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (CID 159380213) is 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-methylsulfonylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[(1-ethylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylamino]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-methylsulfonylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[(1-ethylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylamino]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-methylsulfonylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[(1-ethylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylamino]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is CCN(Cc1cn(CC)c2ccccc12)CC1CCN(c2ncc(C(=O)NO)cn2)CC1.CCn1c(C)c(CCNC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21.CN(CCc1cn(C)c2ccccc12)CC1CCN(c2ncc(C(=O)NO)cn2)CC1.Cn1cc(CCN(CC2CCN(c3ncc(C(=O)NO)cn3)CC2)S(C)(=O)=O)c2cc(Cl)ccc21.Cn1cc(CCNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21.
What is the InChIKey of 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-methylsulfonylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[(1-ethylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylamino]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is LKUUPUWFOPOASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2.C23H29ClN6O4S.2C23H30N6O2.C22H28N6O2/c1-3-28(16-20-17-29(4-2)22-8-6-5-7-21(20)22)15-18-9-11-30(12-10-18)24-25-13-19(14-26-24)23(31)27-32;1-28-15-17(20-11-19(24)3-4-21(20)28)7-10-30(35(2,33)34)14-16-5-8-29(9-6-16)23-25-12-18(13-26-23)22(31)27-32;1-27(10-9-18-16-28(2)21-6-4-3-5-20(18)21)15-17-7-11-29(12-8-17)23-24-13-19(14-25-23)22(30)26-31;1-3-29-16(2)19(20-6-4-5-7-21(20)29)8-11-24-18-9-12-28(13-10-18)23-25-14-17(15-26-23)22(30)27-31;1-27-15-17(19-4-2-3-5-20(19)27)6-9-23-12-16-7-10-28(11-8-16)22-24-13-18(14-25-22)21(29)26-30/h5-8,13-14,17-18,32H,3-4,9-12,15-16H2,1-2H3,(H,27,31);3-4,11-13,15-16,32H,5-10,14H2,1-2H3,(H,27,31);3-6,13-14,16-17,31H,7-12,15H2,1-2H3,(H,26,30);4-7,14-15,18,24,31H,3,8-13H2,1-2H3,(H,27,30);2-5,13-16,23,30H,6-12H2,1H3,(H,26,29).
What are the key properties of 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-methylsulfonylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[(1-ethylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylamino]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-methylsulfonylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[(1-ethylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylamino]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 2211.17 g/mol, XLogP of 13.06, 37 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-methylsulfonylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[(1-ethylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylamino]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[2-(1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 159380213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).