N-cyano-N'-phenylpyridine-2-carboximidamide

C13H10N4 — CID 14510256

IUPACN-cyano-N'-phenylpyridine-2-carboximidamide
SMILESN#CN/C(=N\c1ccccc1)c1ccccn1
InChIInChI=1S/C13H10N4/c14-10-16-13(12-8-4-5-9-15-12)17-11-6-2-1-3-7-11/h1-9H,(H,16,17)
InChIKeyUSIDLHFTIVIMHD-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.23
Rot. Bonds2

About N-cyano-N'-phenylpyridine-2-carboximidamide

N-cyano-N'-phenylpyridine-2-carboximidamide (PubChem CID 14510256) has the molecular formula C13H10N4 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-cyano-N'-phenylpyridine-2-carboximidamide.

Molecular Properties

Compound NameN-cyano-N'-phenylpyridine-2-carboximidamide
PubChem CID14510256
Molecular FormulaC13H10N4
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC NameN-cyano-N'-phenylpyridine-2-carboximidamide
SMILESN#CN/C(=N\c1ccccc1)c1ccccn1
InChIInChI=1S/C13H10N4/c14-10-16-13(12-8-4-5-9-15-12)17-11-6-2-1-3-7-11/h1-9H,(H,16,17)
InChIKeyUSIDLHFTIVIMHD-UHFFFAOYSA-N
XLogP2.23
TPSA61.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyano-N'-phenylpyridine-2-carboximidamide?
The IUPAC name of N-cyano-N'-phenylpyridine-2-carboximidamide (CID 14510256) is N-cyano-N'-phenylpyridine-2-carboximidamide.
What is the SMILES notation for N-cyano-N'-phenylpyridine-2-carboximidamide?
The canonical SMILES for N-cyano-N'-phenylpyridine-2-carboximidamide is N#CN/C(=N\c1ccccc1)c1ccccn1.
What is the InChIKey of N-cyano-N'-phenylpyridine-2-carboximidamide?
The InChIKey is USIDLHFTIVIMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4/c14-10-16-13(12-8-4-5-9-15-12)17-11-6-2-1-3-7-11/h1-9H,(H,16,17).
What are the key properties of N-cyano-N'-phenylpyridine-2-carboximidamide?
N-cyano-N'-phenylpyridine-2-carboximidamide has a molecular weight of 222.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N'-phenylpyridine-2-carboximidamide is sourced from PubChem (CID 14510256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).