6-[(1S)-5-amino-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide;ethane

C13H21N5O2 — CID 143892315

IUPAC6-[(1S)-5-amino-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide;ethane
SMILESCC.NN1C[C@@H]2CC1CN2c1ccc(C(=O)NO)cn1
InChIInChI=1S/C11H15N5O2.C2H6/c12-16-6-8-3-9(16)5-15(8)10-2-1-7(4-13-10)11(17)14-18;1-2/h1-2,4,8-9,18H,3,5-6,12H2,(H,14,17);1-2H3/t8-,9?;/m0./s1
InChIKeyZDTLVYVJVGZIQM-GUORDYTPSA-N
MW279.34 g/mol
LogP0.36
Rot. Bonds2

About 6-[(1S)-5-amino-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide;ethane

6-[(1S)-5-amino-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide;ethane (PubChem CID 143892315) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-[(1S)-5-amino-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name6-[(1S)-5-amino-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide;ethane
PubChem CID143892315
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name6-[(1S)-5-amino-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide;ethane
SMILESCC.NN1C[C@@H]2CC1CN2c1ccc(C(=O)NO)cn1
InChIInChI=1S/C11H15N5O2.C2H6/c12-16-6-8-3-9(16)5-15(8)10-2-1-7(4-13-10)11(17)14-18;1-2/h1-2,4,8-9,18H,3,5-6,12H2,(H,14,17);1-2H3/t8-,9?;/m0./s1
InChIKeyZDTLVYVJVGZIQM-GUORDYTPSA-N
XLogP0.36
TPSA94.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide
CID 88883960
N-hydroxy-2-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide
CID 25190149
N-hydroxy-2-[(1S,4R)-5-(2-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide
CID 44538487
4-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;4-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;6-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;6-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;2-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide;2-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide
CID 160580956
tert-butyl (1R,4S)-5-[5-(hydroxycarbamoyl)pyrimidin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 44538484
N-hydroxy-4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
CID 59783648
tert-butyl (1S,4R)-5-(5-amino-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 155222967
N-hydroxy-2-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide
CID 59783770
N-(2-aminophenyl)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide
CID 16662939
2-[(4S)-5-(cyclohexanecarbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide
CID 87368073
2-[(1S,4R)-5-(cyclohexanecarbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide
CID 44538381
N-hydroxy-2-[5-(pyrrolidine-1-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide
CID 75045116

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-5-amino-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide;ethane?
The IUPAC name of 6-[(1S)-5-amino-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide;ethane (CID 143892315) is 6-[(1S)-5-amino-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide;ethane.
What is the SMILES notation for 6-[(1S)-5-amino-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide;ethane?
The canonical SMILES for 6-[(1S)-5-amino-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide;ethane is CC.NN1C[C@@H]2CC1CN2c1ccc(C(=O)NO)cn1.
What is the InChIKey of 6-[(1S)-5-amino-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide;ethane?
The InChIKey is ZDTLVYVJVGZIQM-GUORDYTPSA-N. The full InChI is InChI=1S/C11H15N5O2.C2H6/c12-16-6-8-3-9(16)5-15(8)10-2-1-7(4-13-10)11(17)14-18;1-2/h1-2,4,8-9,18H,3,5-6,12H2,(H,14,17);1-2H3/t8-,9?;/m0./s1.
What are the key properties of 6-[(1S)-5-amino-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide;ethane?
6-[(1S)-5-amino-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide;ethane has a molecular weight of 279.34 g/mol, XLogP of 0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-5-amino-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide;ethane is sourced from PubChem (CID 143892315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).