2-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride

C18H22ClN5O2 — CID 166627201

IUPAC2-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CN(Cc4ccccc4)C3)C2)nc1
InChIInChI=1S/C18H21N5O2.ClH/c24-16(21-25)15-8-19-17(20-9-15)23-7-6-18(13-23)11-22(12-18)10-14-4-2-1-3-5-14;/h1-5,8-9,25H,6-7,10-13H2,(H,21,24);1H
InChIKeyBUJNVEBGACQKJO-UHFFFAOYSA-N
MW375.86 g/mol
LogP1.73
Rot. Bonds4

About 2-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride

2-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride (PubChem CID 166627201) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride
PubChem CID166627201
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name2-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CN(Cc4ccccc4)C3)C2)nc1
InChIInChI=1S/C18H21N5O2.ClH/c24-16(21-25)15-8-19-17(20-9-15)23-7-6-18(13-23)11-22(12-18)10-14-4-2-1-3-5-14;/h1-5,8-9,25H,6-7,10-13H2,(H,21,24);1H
InChIKeyBUJNVEBGACQKJO-UHFFFAOYSA-N
XLogP1.73
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 51.73
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'}

Analyze 2-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride with MolForge

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Related Compounds

Acy-738
CID 57381425
2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-N-hydroxypyrimidine-5-carboxamide
CID 91844718
N-hydroxy-2-[4-[(E)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 11638926
2-[4-[(E)-2-amino-4-phenylbut-3-enyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 16655008
2-((1-(3-fluorophenyl)cyclohexyl)amino)-N-hydroxypyrimidine-5-carboxamide
CID 57382288
N-hydroxy-2-[2-(phenanthren-9-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
CID 162645744
N-hydroxy-2-[2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
CID 162652430
N-hydroxy-2-[2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
CID 162657336
N-hydroxy-2-[2-(naphthalen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
CID 162657499
2-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 162660646
2-[2-(anthracen-9-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 162662923
N-hydroxy-2-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
CID 162667795

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of 2-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride (CID 166627201) is 2-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride is Cl.O=C(NO)c1cnc(N2CCC3(CN(Cc4ccccc4)C3)C2)nc1.
What is the InChIKey of 2-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
The InChIKey is BUJNVEBGACQKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2.ClH/c24-16(21-25)15-8-19-17(20-9-15)23-7-6-18(13-23)11-22(12-18)10-14-4-2-1-3-5-14;/h1-5,8-9,25H,6-7,10-13H2,(H,21,24);1H.
What are the key properties of 2-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
2-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride has a molecular weight of 375.86 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-N-hydroxypyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 166627201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).