N-hydroxy-2-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride

C18H24ClN5O2S — CID 162642942

IUPACN-hydroxy-2-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4ccsc4)C3)CC2)nc1
InChIInChI=1S/C18H23N5O2S.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
InChIKeyJQDOPFOILRCRNB-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.57
Rot. Bonds4

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

N-hydroxy-2-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride (PubChem CID 162642942) has the molecular formula C18H24ClN5O2S and a molecular weight of 409.94 g/mol. Its IUPAC name is N-hydroxy-2-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-2-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
PubChem CID162642942
Molecular FormulaC18H24ClN5O2S
Molecular Weight409.94 g/mol
Exact Mass409.13
IUPAC NameN-hydroxy-2-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4ccsc4)C3)CC2)nc1
InChIInChI=1S/C18H23N5O2S.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
InChIKeyJQDOPFOILRCRNB-UHFFFAOYSA-N
XLogP2.57
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.57
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'}

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Related Compounds

N-hydroxy-2-[(1S,5R)-6-(thiophen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 49855594
N-hydroxy-2-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride
CID 166629608
N-hydroxy-2-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride
CID 166633061
N-hydroxy-2-[[4-(thiophen-3-ylmethylamino)cyclohexyl]amino]pyrimidine-5-carboxamide;hydrochloride
CID 178300380
2-(ethylamino)-N-methyl-N-(3-thienylmethyl)pyrimidine-5-carboxamide
CID 56740516
[8-(5-Fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone
CID 97449449
[2-(5-Fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97449613
[(5R)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
CID 97450079
[(5S)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
CID 97450080
[2-(5-Fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
CID 131642927
N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 146081493
[8-(5-Fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155828247

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-2-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride (CID 162642942) is N-hydroxy-2-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-2-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-2-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride is Cl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4ccsc4)C3)CC2)nc1.
What is the InChIKey of N-hydroxy-2-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is JQDOPFOILRCRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S.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 N-hydroxy-2-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
N-hydroxy-2-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 409.94 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 162642942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).