6-N,6-N-dicyanopyridine-2,6-dicarboxamide

C9H5N5O2 — CID 143571075

IUPAC6-N,6-N-dicyanopyridine-2,6-dicarboxamide
SMILESN#CN(C#N)C(=O)c1cccc(C(N)=O)n1
InChIInChI=1S/C9H5N5O2/c10-4-14(5-11)9(16)7-3-1-2-6(13-7)8(12)15/h1-3H,(H2,12,15)
InChIKeyHNJIHLQXSBPHPT-UHFFFAOYSA-N
MW215.17 g/mol
LogP-0.42
Rot. Bonds2

About 6-N,6-N-dicyanopyridine-2,6-dicarboxamide

6-N,6-N-dicyanopyridine-2,6-dicarboxamide (PubChem CID 143571075) has the molecular formula C9H5N5O2 and a molecular weight of 215.17 g/mol. Its IUPAC name is 6-N,6-N-dicyanopyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N,6-N-dicyanopyridine-2,6-dicarboxamide
PubChem CID143571075
Molecular FormulaC9H5N5O2
Molecular Weight215.17 g/mol
Exact Mass215.04
IUPAC Name6-N,6-N-dicyanopyridine-2,6-dicarboxamide
SMILESN#CN(C#N)C(=O)c1cccc(C(N)=O)n1
InChIInChI=1S/C9H5N5O2/c10-4-14(5-11)9(16)7-3-1-2-6(13-7)8(12)15/h1-3H,(H2,12,15)
InChIKeyHNJIHLQXSBPHPT-UHFFFAOYSA-N
XLogP-0.42
TPSA123.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

6-(2-cyanoethenyl)pyridine-2-carboxamide
CID 169483449
6-(aminomethyl)pyridine-2-carboxamide;hydrochloride
CID 68864841
2-N,2-N,6-N,6-N-tetramethylpyridine-2,6-dicarboxamide
CID 10955130
6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 134117115
CID 174091336
CID 174091336
6-(bromomethyl)pyridine-2-carboxamide
CID 91240807
6-(2-hydroxypropan-2-yl)pyridine-2-carboxamide
CID 155437518
6-methoxypyridine-2-carboxamide;hydrochloride
CID 172737528
2-[(6-carbamoyl-2-pyridinyl)methyl-(carboxymethyl)amino]acetic acid
CID 102443187
6-pyridin-2-ylpyridine-2-carboxamide
CID 12055775
6-N-(cyclohexylmethyl)pyridine-2,6-dicarboxamide
CID 139664789
6-(azetidin-3-ylamino)pyridine-2-carboxamide
CID 66188207

Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-dicyanopyridine-2,6-dicarboxamide?
The IUPAC name of 6-N,6-N-dicyanopyridine-2,6-dicarboxamide (CID 143571075) is 6-N,6-N-dicyanopyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N,6-N-dicyanopyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N,6-N-dicyanopyridine-2,6-dicarboxamide is N#CN(C#N)C(=O)c1cccc(C(N)=O)n1.
What is the InChIKey of 6-N,6-N-dicyanopyridine-2,6-dicarboxamide?
The InChIKey is HNJIHLQXSBPHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N5O2/c10-4-14(5-11)9(16)7-3-1-2-6(13-7)8(12)15/h1-3H,(H2,12,15).
What are the key properties of 6-N,6-N-dicyanopyridine-2,6-dicarboxamide?
6-N,6-N-dicyanopyridine-2,6-dicarboxamide has a molecular weight of 215.17 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dicyanopyridine-2,6-dicarboxamide is sourced from PubChem (CID 143571075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).