2-[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride

C18H24ClN5O3 — CID 162675972

IUPAC2-[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4ccoc4)C3)CC2)nc1
InChIInChI=1S/C18H23N5O3.ClH/c24-16(21-25)15-9-19-17(20-10-15)23-6-3-18(4-7-23)2-5-22(13-18)11-14-1-8-26-12-14;/h1,8-10,12,25H,2-7,11,13H2,(H,21,24);1H
InChIKeyJSGJGBSSBYWRNJ-UHFFFAOYSA-N
MW393.88 g/mol
LogP2.10
Rot. Bonds4

About 2-[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride

2-[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride (PubChem CID 162675972) has the molecular formula C18H24ClN5O3 and a molecular weight of 393.88 g/mol. Its IUPAC name is 2-[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
PubChem CID162675972
Molecular FormulaC18H24ClN5O3
Molecular Weight393.88 g/mol
Exact Mass393.16
IUPAC Name2-[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4ccoc4)C3)CC2)nc1
InChIInChI=1S/C18H23N5O3.ClH/c24-16(21-25)15-9-19-17(20-10-15)23-6-3-18(4-7-23)2-5-22(13-18)11-14-1-8-26-12-14;/h1,8-10,12,25H,2-7,11,13H2,(H,21,24);1H
InChIKeyJSGJGBSSBYWRNJ-UHFFFAOYSA-N
XLogP2.10
TPSA94.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 166629016
1-(Furan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45831214
1-(Furan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 53499589
[2-(5-Ethylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone
CID 97472714
Furan-3-yl-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone
CID 97472730
[9-(5-Fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
CID 118740815
7-(Furan-3-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 118741057
7-(5-Fluoropyrimidin-2-yl)-2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decane
CID 118746787
Furan-3-yl-[2-(pyrimidine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone
CID 172436802
2-[2-(furan-3-carbonyl)-2,9-diazaspiro[4.5]decan-9-yl]-N-pyrimidin-2-ylacetamide
CID 172438675
7-(5-Fluoropyrimidin-2-yl)-2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118746786
2-[[4-(furan-3-ylmethylamino)cyclohexyl]amino]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 178301376

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of 2-[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride (CID 162675972) is 2-[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for 2-[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride is Cl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4ccoc4)C3)CC2)nc1.
What is the InChIKey of 2-[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
The InChIKey is JSGJGBSSBYWRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3.ClH/c24-16(21-25)15-9-19-17(20-10-15)23-6-3-18(4-7-23)2-5-22(13-18)11-14-1-8-26-12-14;/h1,8-10,12,25H,2-7,11,13H2,(H,21,24);1H.
What are the key properties of 2-[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
2-[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride has a molecular weight of 393.88 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 162675972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).