N-[5-[2-(dicyanomethylidene)hydrazinyl]-2-pyridinyl]-1,3-oxazole-5-carboxamide

C12H7N7O2 — CID 166903339

IUPACN-[5-[2-(dicyanomethylidene)hydrazinyl]-2-pyridinyl]-1,3-oxazole-5-carboxamide
SMILESN#CC(C#N)=NNc1ccc(NC(=O)c2cnco2)nc1
InChIInChI=1S/C12H7N7O2/c13-3-9(4-14)19-18-8-1-2-11(16-5-8)17-12(20)10-6-15-7-21-10/h1-2,5-7,18H,(H,16,17,20)
InChIKeyGNBYSDKCGKQINN-UHFFFAOYSA-N
MW281.24 g/mol
LogP1.14
Rot. Bonds4

About N-[5-[2-(dicyanomethylidene)hydrazinyl]-2-pyridinyl]-1,3-oxazole-5-carboxamide

N-[5-[2-(dicyanomethylidene)hydrazinyl]-2-pyridinyl]-1,3-oxazole-5-carboxamide (PubChem CID 166903339) has the molecular formula C12H7N7O2 and a molecular weight of 281.24 g/mol. Its IUPAC name is N-[5-[2-(dicyanomethylidene)hydrazinyl]-2-pyridinyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(dicyanomethylidene)hydrazinyl]-2-pyridinyl]-1,3-oxazole-5-carboxamide
PubChem CID166903339
Molecular FormulaC12H7N7O2
Molecular Weight281.24 g/mol
Exact Mass281.07
IUPAC NameN-[5-[2-(dicyanomethylidene)hydrazinyl]-2-pyridinyl]-1,3-oxazole-5-carboxamide
SMILESN#CC(C#N)=NNc1ccc(NC(=O)c2cnco2)nc1
InChIInChI=1S/C12H7N7O2/c13-3-9(4-14)19-18-8-1-2-11(16-5-8)17-12(20)10-6-15-7-21-10/h1-2,5-7,18H,(H,16,17,20)
InChIKeyGNBYSDKCGKQINN-UHFFFAOYSA-N
XLogP1.14
TPSA139.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(dicyanomethylidene)hydrazinyl]-2-pyridinyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[5-[2-(dicyanomethylidene)hydrazinyl]-2-pyridinyl]-1,3-oxazole-5-carboxamide (CID 166903339) is N-[5-[2-(dicyanomethylidene)hydrazinyl]-2-pyridinyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-[2-(dicyanomethylidene)hydrazinyl]-2-pyridinyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[5-[2-(dicyanomethylidene)hydrazinyl]-2-pyridinyl]-1,3-oxazole-5-carboxamide is N#CC(C#N)=NNc1ccc(NC(=O)c2cnco2)nc1.
What is the InChIKey of N-[5-[2-(dicyanomethylidene)hydrazinyl]-2-pyridinyl]-1,3-oxazole-5-carboxamide?
The InChIKey is GNBYSDKCGKQINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N7O2/c13-3-9(4-14)19-18-8-1-2-11(16-5-8)17-12(20)10-6-15-7-21-10/h1-2,5-7,18H,(H,16,17,20).
What are the key properties of N-[5-[2-(dicyanomethylidene)hydrazinyl]-2-pyridinyl]-1,3-oxazole-5-carboxamide?
N-[5-[2-(dicyanomethylidene)hydrazinyl]-2-pyridinyl]-1,3-oxazole-5-carboxamide has a molecular weight of 281.24 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(dicyanomethylidene)hydrazinyl]-2-pyridinyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 166903339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).