2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide

C16H21N3O3 — CID 21174904

IUPAC2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
SMILESO=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)NNC(=O)Cn1ccccc1=O
InChIInChI=1S/C16H21N3O3/c20-14(9-13-8-11-4-5-12(13)7-11)17-18-15(21)10-19-6-2-1-3-16(19)22/h1-3,6,11-13H,4-5,7-10H2,(H,17,20)(H,18,21)/t11-,12-,13-/m1/s1
InChIKeyYBJLJSPHKUNHLM-JHJVBQTASA-N
MW303.36 g/mol
LogP0.82
Rot. Bonds4

About 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide

2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide (PubChem CID 21174904) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
PubChem CID21174904
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
SMILESO=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)NNC(=O)Cn1ccccc1=O
InChIInChI=1S/C16H21N3O3/c20-14(9-13-8-11-4-5-12(13)7-11)17-18-15(21)10-19-6-2-1-3-16(19)22/h1-3,6,11-13H,4-5,7-10H2,(H,17,20)(H,18,21)/t11-,12-,13-/m1/s1
InChIKeyYBJLJSPHKUNHLM-JHJVBQTASA-N
XLogP0.82
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 129377497
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 11919710
N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 51186275
2-(2-bicyclo[2.2.1]heptanyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 51166897
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxoazepan-1-yl)acetyl]acetohydrazide
CID 11937802
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methylphenyl)acetamide
CID 11923124
N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 51176255
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 11944434
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 11935708
N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24540990
N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7732664
2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide
CID 98435271

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide?
The IUPAC name of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide (CID 21174904) is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide.
What is the SMILES notation for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide?
The canonical SMILES for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide is O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)NNC(=O)Cn1ccccc1=O.
What is the InChIKey of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide?
The InChIKey is YBJLJSPHKUNHLM-JHJVBQTASA-N. The full InChI is InChI=1S/C16H21N3O3/c20-14(9-13-8-11-4-5-12(13)7-11)17-18-15(21)10-19-6-2-1-3-16(19)22/h1-3,6,11-13H,4-5,7-10H2,(H,17,20)(H,18,21)/t11-,12-,13-/m1/s1.
What are the key properties of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide?
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide has a molecular weight of 303.36 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide is sourced from PubChem (CID 21174904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).