N-(7-oxocyclohepta-1,3,5-trien-1-yl)pyridine-4-carbohydrazide

C13H11N3O2 — CID 90768018

IUPACN-(7-oxocyclohepta-1,3,5-trien-1-yl)pyridine-4-carbohydrazide
SMILESNN(C(=O)c1ccncc1)c1cccccc1=O
InChIInChI=1S/C13H11N3O2/c14-16(11-4-2-1-3-5-12(11)17)13(18)10-6-8-15-9-7-10/h1-9H,14H2
InChIKeyPJTMDCYCDJQISY-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.96
Rot. Bonds2

About N-(7-oxocyclohepta-1,3,5-trien-1-yl)pyridine-4-carbohydrazide

N-(7-oxocyclohepta-1,3,5-trien-1-yl)pyridine-4-carbohydrazide (PubChem CID 90768018) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(7-oxocyclohepta-1,3,5-trien-1-yl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN-(7-oxocyclohepta-1,3,5-trien-1-yl)pyridine-4-carbohydrazide
PubChem CID90768018
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-(7-oxocyclohepta-1,3,5-trien-1-yl)pyridine-4-carbohydrazide
SMILESNN(C(=O)c1ccncc1)c1cccccc1=O
InChIInChI=1S/C13H11N3O2/c14-16(11-4-2-1-3-5-12(11)17)13(18)10-6-8-15-9-7-10/h1-9H,14H2
InChIKeyPJTMDCYCDJQISY-UHFFFAOYSA-N
XLogP0.96
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pyrimidin-2-ylbenzohydrazide
CID 140615438
benzamide;pyridine-4-carboxamide
CID 175267661
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CID 7038821
3-[2-fluoro-N-(pyridine-4-carbonyl)anilino]propanoic acid
CID 82321705
pyridine;pyridine-4-carboxamide
CID 70513287
[2-methoxy-N-(pyridine-4-carbonyl)anilino]urea
CID 174471239
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
N-propan-2-yl-N-pyridin-4-ylbenzamide
CID 11042850
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide
CID 60923256
N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 17230224
N-anilino-N-[hydroxy(methyl)amino]pyridine-4-carboxamide
CID 57208281
N-hydroxy-N-(4-pyridin-4-ylphenyl)benzamide
CID 87974720

Frequently Asked Questions

What is the IUPAC name of N-(7-oxocyclohepta-1,3,5-trien-1-yl)pyridine-4-carbohydrazide?
The IUPAC name of N-(7-oxocyclohepta-1,3,5-trien-1-yl)pyridine-4-carbohydrazide (CID 90768018) is N-(7-oxocyclohepta-1,3,5-trien-1-yl)pyridine-4-carbohydrazide.
What is the SMILES notation for N-(7-oxocyclohepta-1,3,5-trien-1-yl)pyridine-4-carbohydrazide?
The canonical SMILES for N-(7-oxocyclohepta-1,3,5-trien-1-yl)pyridine-4-carbohydrazide is NN(C(=O)c1ccncc1)c1cccccc1=O.
What is the InChIKey of N-(7-oxocyclohepta-1,3,5-trien-1-yl)pyridine-4-carbohydrazide?
The InChIKey is PJTMDCYCDJQISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c14-16(11-4-2-1-3-5-12(11)17)13(18)10-6-8-15-9-7-10/h1-9H,14H2.
What are the key properties of N-(7-oxocyclohepta-1,3,5-trien-1-yl)pyridine-4-carbohydrazide?
N-(7-oxocyclohepta-1,3,5-trien-1-yl)pyridine-4-carbohydrazide has a molecular weight of 241.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxocyclohepta-1,3,5-trien-1-yl)pyridine-4-carbohydrazide is sourced from PubChem (CID 90768018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).