N-hydroxy-2-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride

C16H20ClN5O2S — CID 166629608

IUPACN-hydroxy-2-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CN(Cc4cccs4)C3)C2)nc1
InChIInChI=1S/C16H19N5O2S.ClH/c22-14(19-23)12-6-17-15(18-7-12)21-4-3-16(11-21)9-20(10-16)8-13-2-1-5-24-13;/h1-2,5-7,23H,3-4,8-11H2,(H,19,22);1H
InChIKeyHYOJLFQXWRSZEN-UHFFFAOYSA-N
MW381.89 g/mol
LogP1.79
Rot. Bonds4

About N-hydroxy-2-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride

N-hydroxy-2-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride (PubChem CID 166629608) has the molecular formula C16H20ClN5O2S and a molecular weight of 381.89 g/mol. Its IUPAC name is N-hydroxy-2-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-2-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride
PubChem CID166629608
Molecular FormulaC16H20ClN5O2S
Molecular Weight381.89 g/mol
Exact Mass381.10
IUPAC NameN-hydroxy-2-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CN(Cc4cccs4)C3)C2)nc1
InChIInChI=1S/C16H19N5O2S.ClH/c22-14(19-23)12-6-17-15(18-7-12)21-4-3-16(11-21)9-20(10-16)8-13-2-1-5-24-13;/h1-2,5-7,23H,3-4,8-11H2,(H,19,22);1H
InChIKeyHYOJLFQXWRSZEN-UHFFFAOYSA-N
XLogP1.79
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-2-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride (CID 166629608) is N-hydroxy-2-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-2-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-2-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride is Cl.O=C(NO)c1cnc(N2CCC3(CN(Cc4cccs4)C3)C2)nc1.
What is the InChIKey of N-hydroxy-2-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is HYOJLFQXWRSZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S.ClH/c22-14(19-23)12-6-17-15(18-7-12)21-4-3-16(11-21)9-20(10-16)8-13-2-1-5-24-13;/h1-2,5-7,23H,3-4,8-11H2,(H,19,22);1H.
What are the key properties of N-hydroxy-2-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride?
N-hydroxy-2-[2-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 381.89 g/mol, XLogP of 1.79, 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-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 166629608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).