6-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide

C13H18N4O2 — CID 88883960

IUPAC6-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide
SMILESCCN1C[C@@H]2C[C@H]1CN2c1ccc(C(=O)NO)cn1
InChIInChI=1S/C13H18N4O2/c1-2-16-7-11-5-10(16)8-17(11)12-4-3-9(6-14-12)13(18)15-19/h3-4,6,10-11,19H,2,5,7-8H2,1H3,(H,15,18)/t10-,11-/m0/s1
InChIKeyGRWMPVVTFSZPHR-QWRGUYRKSA-N
MW262.31 g/mol
LogP0.48
Rot. Bonds3

About 6-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide

6-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide (PubChem CID 88883960) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide
PubChem CID88883960
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name6-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide
SMILESCCN1C[C@@H]2C[C@H]1CN2c1ccc(C(=O)NO)cn1
InChIInChI=1S/C13H18N4O2/c1-2-16-7-11-5-10(16)8-17(11)12-4-3-9(6-14-12)13(18)15-19/h3-4,6,10-11,19H,2,5,7-8H2,1H3,(H,15,18)/t10-,11-/m0/s1
InChIKeyGRWMPVVTFSZPHR-QWRGUYRKSA-N
XLogP0.48
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

6-[(1S)-5-amino-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide;ethane
CID 143892315
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
N-hydroxy-4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
CID 59783648
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74246890
N-hydroxy-2-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide
CID 59783770
tert-butyl (1R,4S)-5-[5-(hydroxycarbamoyl)pyrimidin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 44538484
N-hydroxy-2-[(1S,4S)-5-[3-[methyl(2-oxoethyl)amino]phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide
CID 150726812
N-hydroxy-6-[2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridine-3-carboxamide
CID 59367597
2-[(4S)-5-(cyclohexanecarbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyrimidine-5-carboxamide
CID 87368073
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,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide?
The IUPAC name of 6-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide (CID 88883960) is 6-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide.
What is the SMILES notation for 6-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide?
The canonical SMILES for 6-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide is CCN1C[C@@H]2C[C@H]1CN2c1ccc(C(=O)NO)cn1.
What is the InChIKey of 6-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide?
The InChIKey is GRWMPVVTFSZPHR-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-2-16-7-11-5-10(16)8-17(11)12-4-3-9(6-14-12)13(18)15-19/h3-4,6,10-11,19H,2,5,7-8H2,1H3,(H,15,18)/t10-,11-/m0/s1.
What are the key properties of 6-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide?
6-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 88883960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).