N-hydroxy-2-[4-[[2-(3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

C22H27N5O2 — CID 147230311

IUPACN-hydroxy-2-[4-[[2-(3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCC(CNCCC3=CCc4ccccc43)CC2)nc1
InChIInChI=1S/C22H27N5O2/c28-21(26-29)19-14-24-22(25-15-19)27-11-8-16(9-12-27)13-23-10-7-18-6-5-17-3-1-2-4-20(17)18/h1-4,6,14-16,23,29H,5,7-13H2,(H,26,28)
InChIKeyCITXSDQTNPKREG-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.43
Rot. Bonds7

About N-hydroxy-2-[4-[[2-(3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[4-[[2-(3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 147230311) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-hydroxy-2-[4-[[2-(3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[[2-(3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
PubChem CID147230311
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-hydroxy-2-[4-[[2-(3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCC(CNCCC3=CCc4ccccc43)CC2)nc1
InChIInChI=1S/C22H27N5O2/c28-21(26-29)19-14-24-22(25-15-19)27-11-8-16(9-12-27)13-23-10-7-18-6-5-17-3-1-2-4-20(17)18/h1-4,6,14-16,23,29H,5,7-13H2,(H,26,28)
InChIKeyCITXSDQTNPKREG-UHFFFAOYSA-N
XLogP2.43
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.43
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'}

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Related Compounds

2-[4-[[2-(6-chloro-3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 160914774
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-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249597
1-[2-[4-[[2-(1,2-dimethylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidin-5-yl]-2-hydroxyethanone
CID 58296476
(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-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 58845010
2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109250857
2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252740
N-hydroxy-2-[4-[4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide
CID 10311892

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[[2-(3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[[2-(3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (CID 147230311) is N-hydroxy-2-[4-[[2-(3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[[2-(3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[[2-(3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCC(CNCCC3=CCc4ccccc43)CC2)nc1.
What is the InChIKey of N-hydroxy-2-[4-[[2-(3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is CITXSDQTNPKREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c28-21(26-29)19-14-24-22(25-15-19)27-11-8-16(9-12-27)13-23-10-7-18-6-5-17-3-1-2-4-20(17)18/h1-4,6,14-16,23,29H,5,7-13H2,(H,26,28).
What are the key properties of N-hydroxy-2-[4-[[2-(3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[4-[[2-(3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[[2-(3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 147230311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).