2-[4-[[2-(6-chloro-3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide

C22H26ClN5O2 — CID 160914774

IUPAC2-[4-[[2-(6-chloro-3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCC(CNCCC3=CCc4ccc(Cl)cc43)CC2)nc1
InChIInChI=1S/C22H26ClN5O2/c23-19-4-3-16-1-2-17(20(16)11-19)5-8-24-12-15-6-9-28(10-7-15)22-25-13-18(14-26-22)21(29)27-30/h2-4,11,13-15,24,30H,1,5-10,12H2,(H,27,29)
InChIKeySRGITGQDLFBPNS-UHFFFAOYSA-N
MW427.94 g/mol
LogP3.08
Rot. Bonds7

About 2-[4-[[2-(6-chloro-3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide

2-[4-[[2-(6-chloro-3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 160914774) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 2-[4-[[2-(6-chloro-3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[2-(6-chloro-3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
PubChem CID160914774
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC Name2-[4-[[2-(6-chloro-3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCC(CNCCC3=CCc4ccc(Cl)cc43)CC2)nc1
InChIInChI=1S/C22H26ClN5O2/c23-19-4-3-16-1-2-17(20(16)11-19)5-8-24-12-15-6-9-28(10-7-15)22-25-13-18(14-26-22)21(29)27-30/h2-4,11,13-15,24,30H,1,5-10,12H2,(H,27,29)
InChIKeySRGITGQDLFBPNS-UHFFFAOYSA-N
XLogP3.08
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-(6-chloro-3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide with MolForge

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Related Compounds

N-hydroxy-2-[4-[[2-(3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 147230311
2-[4-[[(5-chloro-1-propylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;1-fluoro-2-hydroperoxyethyne;dihydrofluoride
CID 159761793
N-hydroxy-2-[4-[[(1-methylindol-6-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 11632605
2-[4-[[(7-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 11589660
methyl (2S)-2-cyclohexyl-2-[[4-[[[1-[5-(hydroxycarbamoyl)pyrimidin-2-yl]piperidin-4-yl]methylamino]methyl]cyclohexyl]methylamino]acetate
CID 89006777
methyl (2S)-2-cyclohexyl-2-[[1-[5-(hydroxycarbamoyl)pyrimidin-2-yl]piperidin-4-yl]methylamino]acetate
CID 89006686
2-[3-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 143666633
(2S)-2-[[4-[[[1-[5-(hydroxycarbamoyl)pyrimidin-2-yl]piperidin-4-yl]methylamino]methyl]phenyl]methylamino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 24985888
2-[4-[[(5-chloro-2,3-dihydro-1H-indol-3-yl)methylamino]methyl]piperidin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
CID 88869920
2-[4-[(E)-4-(4-chlorophenyl)-1-hydroxybut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 46225969
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250990
2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249597

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(6-chloro-3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[4-[[2-(6-chloro-3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide (CID 160914774) is 2-[4-[[2-(6-chloro-3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-[[2-(6-chloro-3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-[[2-(6-chloro-3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCC(CNCCC3=CCc4ccc(Cl)cc43)CC2)nc1.
What is the InChIKey of 2-[4-[[2-(6-chloro-3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is SRGITGQDLFBPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c23-19-4-3-16-1-2-17(20(16)11-19)5-8-24-12-15-6-9-28(10-7-15)22-25-13-18(14-26-22)21(29)27-30/h2-4,11,13-15,24,30H,1,5-10,12H2,(H,27,29).
What are the key properties of 2-[4-[[2-(6-chloro-3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
2-[4-[[2-(6-chloro-3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 427.94 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(6-chloro-3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 160914774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).