2-Amino-4-(4-methoxyphenyl)-6-(1-pyrrolidinyl)-3,5-pyridinedicarbonitrile
Basic information
- CAS
77034-28-7- Standard SMILES
COc1ccc(-c2c(C#N)c(N)nc(N3CCCC3)c2C#N)cc1- InChIKey
DOVSVBIKXZOKQJ-UHFFFAOYSA-N- Molecular formula
- C18H17N5O
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.14331018
Names & identifiers
- Preferred name
- 2-Amino-4-(4-methoxyphenyl)-6-(1-pyrrolidinyl)-3,5-pyridinedicarbonitrile
- IUPAC
- 2-amino-4-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile
Names & synonyms
2-Amino-4-(4-methoxyphenyl)-6-(1-pyrrolidinyl)-3,5-pyridinedicarbonitrile77034-28-7Oprea1_788914DTXSID201147407AG-205/154246522-AMINO-4-(4-METHOXYPHENYL)-6-(PYRROLIDIN-1-YL)PYRIDINE-3,5-DICARBONITRILE
Database identifiers
- CAS
77034-28-7- PubChem CID
- 4429906
- DTXSID
DTXSID201147407
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 520
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Compound notes
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