Basic information
- Standard SMILES
COc1ccc(CNc2cc3c(Nc4cccc(C(C)C)c4)c(C#N)cnc3cn2)cc1- InChIKey
ZLFMIFSITLEZLH-UHFFFAOYSA-N- Molecular formula
- C26H25N5O
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 423.20591044
Names & identifiers
- Preferred name
- 4-[(3-Isopropylphenyl)amino]-6-[(4-methoxybenzyl)amino]-1,7-naphthyridine-3-carbonitrile
- IUPAC
- 6-[(4-methoxyphenyl)methylamino]-4-(3-propan-2-ylanilino)-1,7-naphthyridine-3-carbonitrile
Names & synonyms
SCHEMBL5118440ZLFMIFSITLEZLH-UHFFFAOYSA-N4-[(3-isopropylphenyl)amino]-6-[(4-methoxybenzyl)amino]-1,7-naphthyridine-3-carbonitrile
Database identifiers
- PubChem CID
- 69318067
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 625
Related reactions
1 records
Compound notes
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