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

C16H19N5O3 — CID 166625654

IUPAC2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCC3(CN(Cc4ccoc4)C3)C2)nc1
InChIInChI=1S/C16H19N5O3/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)
InChIKeyCOBFHCUBTUPSBH-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.90
Rot. Bonds4

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

2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 166625654) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide
PubChem CID166625654
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCC3(CN(Cc4ccoc4)C3)C2)nc1
InChIInChI=1S/C16H19N5O3/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)
InChIKeyCOBFHCUBTUPSBH-UHFFFAOYSA-N
XLogP0.90
TPSA94.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.90
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 2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide (CID 166625654) is 2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide is 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?
The InChIKey is COBFHCUBTUPSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/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).
What are the key properties of 2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide?
2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.90, 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 is sourced from PubChem (CID 166625654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).