(2S,5R)-6-hydroxy-7-oxo-N-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide

C12H15N5O3 — CID 140934808

IUPAC(2S,5R)-6-hydroxy-7-oxo-N-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide
SMILESNN(C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2O)c1cccnc1
InChIInChI=1S/C12H15N5O3/c13-16(8-2-1-5-14-6-8)11(18)10-4-3-9-7-15(10)12(19)17(9)20/h1-2,5-6,9-10,20H,3-4,7,13H2/t9-,10+/m1/s1
InChIKeyVMAWFSDGGQHHLL-ZJUUUORDSA-N
MW277.28 g/mol
LogP-0.05
Rot. Bonds2

About (2S,5R)-6-hydroxy-7-oxo-N-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide

(2S,5R)-6-hydroxy-7-oxo-N-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide (PubChem CID 140934808) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is (2S,5R)-6-hydroxy-7-oxo-N-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide.

Molecular Properties

Compound Name(2S,5R)-6-hydroxy-7-oxo-N-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide
PubChem CID140934808
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name(2S,5R)-6-hydroxy-7-oxo-N-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide
SMILESNN(C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2O)c1cccnc1
InChIInChI=1S/C12H15N5O3/c13-16(8-2-1-5-14-6-8)11(18)10-4-3-9-7-15(10)12(19)17(9)20/h1-2,5-6,9-10,20H,3-4,7,13H2/t9-,10+/m1/s1
InChIKeyVMAWFSDGGQHHLL-ZJUUUORDSA-N
XLogP-0.05
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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

(2S,5R)-6-hydroxy-7-oxo-N-(1H-pyrrol-3-yloxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 141438273
[7-oxo-2-[N'-(pyridine-3-carbonyl)carbamimidoyl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 174146503
(2S,5R)-6-hydroxy-7-oxo-N-phenacyl-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 159702913
1-(2,3-dihydro-1H-inden-2-yl)-N,N-bis(pyridin-3-ylmethyl)aziridine-2-carboxamide
CID 74226399
[(2S,5R)-2-[amino(benzoyl)carbamoyl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 90221327
N-[amino-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]methylidene]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 174146632
N,N-dipyridin-3-ylcyclobutanecarboxamide
CID 126532272
(2S)-6-hydroxy-N'-methylsulfonyl-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide
CID 90228992
7-oxo-6-phenylmethoxy-N'-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide
CID 123822552
(2S,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146346758
(2S,5R)-N'-[(1S)-2,2-dimethylcyclopropanecarbonyl]-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide
CID 86694070
(2S,5R)-6-hydroxy-N-(methylsulfonylmethyl)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 158519234

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-6-hydroxy-7-oxo-N-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide?
The IUPAC name of (2S,5R)-6-hydroxy-7-oxo-N-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide (CID 140934808) is (2S,5R)-6-hydroxy-7-oxo-N-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide.
What is the SMILES notation for (2S,5R)-6-hydroxy-7-oxo-N-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide?
The canonical SMILES for (2S,5R)-6-hydroxy-7-oxo-N-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide is NN(C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2O)c1cccnc1.
What is the InChIKey of (2S,5R)-6-hydroxy-7-oxo-N-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide?
The InChIKey is VMAWFSDGGQHHLL-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H15N5O3/c13-16(8-2-1-5-14-6-8)11(18)10-4-3-9-7-15(10)12(19)17(9)20/h1-2,5-6,9-10,20H,3-4,7,13H2/t9-,10+/m1/s1.
What are the key properties of (2S,5R)-6-hydroxy-7-oxo-N-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide?
(2S,5R)-6-hydroxy-7-oxo-N-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide has a molecular weight of 277.28 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-6-hydroxy-7-oxo-N-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide is sourced from PubChem (CID 140934808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).