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

C16H20ClN5O3 — CID 166628978

IUPAC2-[2-(furan-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CN(Cc4ccco4)C3)C2)nc1
InChIInChI=1S/C16H19N5O3.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
InChIKeyQVJXDYWUSSKZBO-UHFFFAOYSA-N
MW365.82 g/mol
LogP1.32
Rot. Bonds4

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

2-[2-(furan-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride (PubChem CID 166628978) has the molecular formula C16H20ClN5O3 and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-[2-(furan-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(furan-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
PubChem CID166628978
Molecular FormulaC16H20ClN5O3
Molecular Weight365.82 g/mol
Exact Mass365.13
IUPAC Name2-[2-(furan-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CN(Cc4ccco4)C3)C2)nc1
InChIInChI=1S/C16H19N5O3.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
InChIKeyQVJXDYWUSSKZBO-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-~{tert}-Butyl-4-(Furan-2-Ylmethylamino)-~{n}-(2-Methylpropyl)-~{n}-[(3~{s})-Piperidin-3-Yl]pyrimidine-5-Carboxamide
CID 59625584
2-tert-butyl-4-(furan-2-ylmethylamino)-N-(2-methylpropyl)-N-[(3S)-piperidin-3-yl]pyrimidine-5-carboxamide;dihydrochloride
CID 68432286
2-tert-butyl-4-(furan-2-ylmethylamino)-N-(2-methylpropyl)-N-piperidin-3-ylpyrimidine-5-carboxamide;dihydrochloride
CID 68431518
N-butyl-2-tert-butyl-4-(furan-2-ylmethylamino)-N-piperidin-3-ylpyrimidine-5-carboxamide;dihydrochloride
CID 68432247
2-tert-butyl-4-(furan-2-ylmethylamino)-N-(2-methylpropyl)-N-[(3R)-piperidin-3-yl]pyrimidine-5-carboxamide;dihydrochloride
CID 68432392
2-tert-butyl-4-(furan-2-ylmethylamino)-N-piperidin-3-yl-N-propylpyrimidine-5-carboxamide;dihydrochloride
CID 68433634
Furan-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 3232919
2-tert-butyl-N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-ylpyrimidine-5-carboxamide;dihydrochloride
CID 134153166
2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 166629016
2-[2-(1-benzofuran-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 166629918
2-[[1-(furan-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 57382070
furan-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3234480

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of 2-[2-(furan-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride (CID 166628978) is 2-[2-(furan-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-[2-(furan-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for 2-[2-(furan-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride is Cl.O=C(NO)c1cnc(N2CCC3(CN(Cc4ccco4)C3)C2)nc1.
What is the InChIKey of 2-[2-(furan-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
The InChIKey is QVJXDYWUSSKZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3.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 2-[2-(furan-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride?
2-[2-(furan-2-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-2-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 166628978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).