Basic information
- Standard SMILES
COC(=O)c1ccncc1NC1CCOCC1- InChIKey
CJXVTCPEDRABDJ-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.11609238
Names & identifiers
- Preferred name
- 3-(Tetrahydro-pyran-4-ylamino)-isonicotinic acid methyl ester
- IUPAC
- methyl 3-(oxan-4-ylamino)pyridine-4-carboxylate
Names & synonyms
SCHEMBL589308CJXVTCPEDRABDJ-UHFFFAOYSA-N3-(tetrahydro-pyran-4-ylamino)-isonicotinic acid methyl ester
Database identifiers
- PubChem CID
- 66735901
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Related reactions
3 records
Compound notes
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