N'-(3-pyridin-2-ylisoquinolin-1-yl)pyridine-2-carboximidamide
Basic information
- CAS
118112-10-0- Standard SMILES
NC(=Nc1nc(-c2ccccn2)cc2ccccc12)c1ccccn1- InChIKey
VZJMIYLTPATHJF-UHFFFAOYSA-N- Molecular formula
- C20H15N5
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.1327455
Names & identifiers
- Preferred name
- N'-(3-pyridin-2-ylisoquinolin-1-yl)pyridine-2-carboximidamide
- IUPAC
- N'-(3-pyridin-2-ylisoquinolin-1-yl)pyridine-2-carboximidamide
- English name
- N-[3-(2-Pyridinyl)-1-isoquinolinyl]-2-pyridinecarbimide amide
- Molecular formula
- C20H15N5
- Molecular weight
- 325.37
Names & synonyms
NSC637578118112-10-0MLS002701673N'-(3-pyridin-2-ylisoquinolin-1-yl)pyridine-2-carboximidamideVUF8345N-[3-(2-Pyridinyl)-1-isoquinolinyl]-2-pyridinecarbimide amideNCIChal_000014NCIMech_000776CHEMBL144514SCHEMBL10708636SCHEMBL10708647SCHEMBL30516146
Show more names
VUF-8345N2-[3-(2-Pyridyl)-1-isoquinolyl]-2-pyridinecarboxamidine2-Pyridinecarboximidamide, N-[3-(2-pyridinyl)-1-isoquinolinyl]-
SCHEMBL31237471SCHEMBL41977945ANTINEOPLASTIC-637578DTXSID70332749CCG-35920CCG-36387N'-[3-(PYRIDIN-2-YL)ISOQUINOLIN-1-YL]PYRIDINE-2-CARBOXIMIDAMIDENSC-637578
Database identifiers
- CAS
118112-10-0- PubChem CID
- 463108
- DTXSID
DTXSID70332749- ChEMBL
CHEMBL144514- Nikkaji
- J378.433I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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