Basic information
- Standard SMILES
O=C(O)Cn1c(C2CC2)ccc(NCc2ccc3c(n2)NCCC3)c1=O- InChIKey
QCDOTBOKNWMLDX-UHFFFAOYSA-N- Molecular formula
- C19H22N4O3
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.16919058
Names & identifiers
- Preferred name
- {6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-ylmethyl)-amino]-2H-pyridin-1-yl}-acetic acid
- IUPAC
- 2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]acetic acid
Names & synonyms
SCHEMBL7915927QCDOTBOKNWMLDX-UHFFFAOYSA-N{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-ylmethyl)-amino]-2H-pyridin-1-yl}-acetic acid
Database identifiers
- PubChem CID
- 22008804
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 641
Related reactions
4 records
Compound notes
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