Basic information
- Standard SMILES
CCNC(=O)Nc1cc(NCc2cccnc2)c(C(=O)O)cn1- InChIKey
FAAFQGSCZNDIFF-UHFFFAOYSA-N- Molecular formula
- C15H17N5O3
- Average molar mass
- 315.33 g/mol
Names & identifiers
- Preferred name
- 6-(3-Ethylureido)-4-(pyridin-3-ylmethylamino)nicotinic acid
- IUPAC
- 6-(ethylcarbamoylamino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxylic acid
Names & synonyms
SCHEMBL15058888FAAFQGSCZNDIFF-UHFFFAOYSA-N6-(3-Ethylureido)-4-(pyridin-3-ylmethylamino)nicotinic acid
Database identifiers
- PubChem CID
- 89650596
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Related reactions
2 records
Compound notes
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