5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide

C11H7N5O — CID 63718638

IUPAC5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide
SMILESN#CCN(CC#N)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C11H7N5O/c12-3-5-16(6-4-13)11(17)10-2-1-9(7-14)8-15-10/h1-2,8H,5-6H2
InChIKeySLDOSPBYBVQNDX-UHFFFAOYSA-N
MW225.21 g/mol
LogP0.44
Rot. Bonds3

About 5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide

5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide (PubChem CID 63718638) has the molecular formula C11H7N5O and a molecular weight of 225.21 g/mol. Its IUPAC name is 5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide
PubChem CID63718638
Molecular FormulaC11H7N5O
Molecular Weight225.21 g/mol
Exact Mass225.07
IUPAC Name5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide
SMILESN#CCN(CC#N)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C11H7N5O/c12-3-5-16(6-4-13)11(17)10-2-1-9(7-14)8-15-10/h1-2,8H,5-6H2
InChIKeySLDOSPBYBVQNDX-UHFFFAOYSA-N
XLogP0.44
TPSA104.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

5-cyano-N-ethyl-N-propylpyridine-2-carboxamide
CID 63717846
N-butyl-5-cyano-N-ethylpyridine-2-carboxamide
CID 63719310
5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide
CID 63724052
2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107423977
N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide
CID 63716939
N-butyl-N-(2-chloroethyl)-5-cyanopyridine-2-carboxamide
CID 55230022
methyl 3-[(5-cyanopyridine-2-carbonyl)-ethylamino]propanoate
CID 63717102
5-cyano-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
CID 107398621
N-(2-bromoethyl)-5-cyano-N-cyclopropylpyridine-2-carboxamide
CID 80665123
6-(2-bromoacetyl)pyridine-3-carbonitrile
CID 58497180
ethyl 2-[(5-cyanopyridine-2-carbonyl)-methylamino]acetate
CID 55231343
5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63722909

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide (CID 63718638) is 5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide is N#CCN(CC#N)C(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide?
The InChIKey is SLDOSPBYBVQNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O/c12-3-5-16(6-4-13)11(17)10-2-1-9(7-14)8-15-10/h1-2,8H,5-6H2.
What are the key properties of 5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide?
5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide has a molecular weight of 225.21 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide is sourced from PubChem (CID 63718638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).