[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate

C16H15N3O4 — CID 8860466

IUPAC[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccccn1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C16H15N3O4/c1-11(23-16(22)13-9-5-6-10-17-13)14(20)18-19-15(21)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,20)(H,19,21)/t11-/m1/s1
InChIKeyAOLVMWTZMBYPBU-LLVKDONJSA-N
MW313.31 g/mol
LogP1.09
Rot. Bonds4

About [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate

[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate (PubChem CID 8860466) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate
PubChem CID8860466
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccccn1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C16H15N3O4/c1-11(23-16(22)13-9-5-6-10-17-13)14(20)18-19-15(21)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,20)(H,19,21)/t11-/m1/s1
InChIKeyAOLVMWTZMBYPBU-LLVKDONJSA-N
XLogP1.09
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 8937532
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 8872704
N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide
CID 9033179
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 8864345
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-fluorobenzoate
CID 8868567
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 37289545
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 9064395
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477255
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] furan-2-carboxylate
CID 8862579
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate
CID 8864955
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-bromopyridine-3-carboxylate
CID 8871469
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 9059282

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate?
The IUPAC name of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate (CID 8860466) is [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate.
What is the SMILES notation for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate?
The canonical SMILES for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate is C[C@@H](OC(=O)c1ccccn1)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate?
The InChIKey is AOLVMWTZMBYPBU-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-11(23-16(22)13-9-5-6-10-17-13)14(20)18-19-15(21)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,20)(H,19,21)/t11-/m1/s1.
What are the key properties of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate?
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate is sourced from PubChem (CID 8860466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).