2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride

C16H20ClN5O3 — CID 166629016

IUPAC2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CN(Cc4ccoc4)C3)C2)nc1
InChIInChI=1S/C16H19N5O3.ClH/c22-14(19-23)13-5-17-15(18-6-13)21-3-2-16(11-21)9-20(10-16)7-12-1-4-24-8-12;/h1,4-6,8,23H,2-3,7,9-11H2,(H,19,22);1H
InChIKeyMODRTCRLIZPMQJ-UHFFFAOYSA-N
MW365.82 g/mol
LogP1.32
Rot. Bonds4

About 2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride

2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride (PubChem CID 166629016) has the molecular formula C16H20ClN5O3 and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
PubChem CID166629016
Molecular FormulaC16H20ClN5O3
Molecular Weight365.82 g/mol
Exact Mass365.13
IUPAC Name2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CN(Cc4ccoc4)C3)C2)nc1
InChIInChI=1S/C16H19N5O3.ClH/c22-14(19-23)13-5-17-15(18-6-13)21-3-2-16(11-21)9-20(10-16)7-12-1-4-24-8-12;/h1,4-6,8,23H,2-3,7,9-11H2,(H,19,22);1H
InChIKeyMODRTCRLIZPMQJ-UHFFFAOYSA-N
XLogP1.32
TPSA94.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 51.32
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

2-[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 162675972
2-[2-(furan-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 166628978
[2-(5-Fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone
CID 97392917
[2-(5-Ethylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone
CID 97472714
Furan-3-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octan-7-yl)methanone
CID 97472727
Furan-3-yl-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone
CID 97472730
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-[[4-(furan-3-ylmethylamino)cyclohexyl]amino]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 178301376
2-(ethylamino)-N-(3-furylmethyl)-N-methyl-5-pyrimidinecarboxamide
CID 72913830
N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 164639955
5-fluoro-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4-diamine
CID 80796080

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of 2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride (CID 166629016) is 2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for 2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride is Cl.O=C(NO)c1cnc(N2CCC3(CN(Cc4ccoc4)C3)C2)nc1.
What is the InChIKey of 2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
The InChIKey is MODRTCRLIZPMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3.ClH/c22-14(19-23)13-5-17-15(18-6-13)21-3-2-16(11-21)9-20(10-16)7-12-1-4-24-8-12;/h1,4-6,8,23H,2-3,7,9-11H2,(H,19,22);1H.
What are the key properties of 2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride has a molecular weight of 365.82 g/mol, XLogP of 1.32, 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)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 166629016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).