2-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride

C20H26ClN5O2 — CID 162660646

IUPAC2-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)nc1
InChIInChI=1S/C20H25N5O2.ClH/c26-18(23-27)17-12-21-19(22-13-17)25-10-7-20(8-11-25)6-9-24(15-20)14-16-4-2-1-3-5-16;/h1-5,12-13,27H,6-11,14-15H2,(H,23,26);1H
InChIKeyRHUUFWVEZVAPHX-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.51
Rot. Bonds4

About 2-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride

2-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride (PubChem CID 162660646) has the molecular formula C20H26ClN5O2 and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride
PubChem CID162660646
Molecular FormulaC20H26ClN5O2
Molecular Weight403.91 g/mol
Exact Mass403.18
IUPAC Name2-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)nc1
InChIInChI=1S/C20H25N5O2.ClH/c26-18(23-27)17-12-21-19(22-13-17)25-10-7-20(8-11-25)6-9-24(15-20)14-16-4-2-1-3-5-16;/h1-5,12-13,27H,6-11,14-15H2,(H,23,26);1H
InChIKeyRHUUFWVEZVAPHX-UHFFFAOYSA-N
XLogP2.51
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Acy-738
CID 57381425
2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-N-hydroxypyrimidine-5-carboxamide
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N-hydroxy-2-[4-[(E)-1-hydroxy-4-(4-methylphenyl)but-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
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N-hydroxy-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 11494701
N-hydroxy-2-[4-[(E)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 11638926
2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-yl)piperazin-1-yl)-N-hydroxypyrimidine-5-carboxamide
CID 11682502
N-hydroxy-2-[4-[[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 11957768
2-Phenyl-pyrimidine-5-carboxylic acid benzylamide
CID 16043211
2-[4-[(E)-2-amino-4-phenylbut-3-enyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 16655008
2-[4-[(E)-4-(3-fluorophenyl)-1-hydroxybut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 46225960

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of 2-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride (CID 162660646) is 2-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride is Cl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)nc1.
What is the InChIKey of 2-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
The InChIKey is RHUUFWVEZVAPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2.ClH/c26-18(23-27)17-12-21-19(22-13-17)25-10-7-20(8-11-25)6-9-24(15-20)14-16-4-2-1-3-5-16;/h1-5,12-13,27H,6-11,14-15H2,(H,23,26);1H.
What are the key properties of 2-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
2-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride has a molecular weight of 403.91 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 162660646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).