5-(5-Chloro-4-(piperidin-4-ylmethylamino)pyridin-2-ylamino)pyrazine-2-carbonitrile
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Basic information
- Standard SMILES
N#Cc1cnc(Nc2cc(NCC3CCNCC3)c(Cl)cn2)cn1- InChIKey
OFJNQLWCLWKDNQ-UHFFFAOYSA-N- Molecular formula
- C16H18ClN7
- Average molar mass
- 343.8 g/mol
- Monoisotopic mass
- 343.1312213
Names & identifiers
- Preferred name
- 5-(5-Chloro-4-(piperidin-4-ylmethylamino)pyridin-2-ylamino)pyrazine-2-carbonitrile
- IUPAC
- 5-[[5-chloro-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
Names & synonyms
SCHEMBL621207OFJNQLWCLWKDNQ-UHFFFAOYSA-N5-(5-chloro-4-(piperidin-4-ylmethylamino)pyridin-2-ylamino)pyrazine-2-carbonitrile
Database identifiers
- PubChem CID
- 59613467
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 433
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Related reactions
3 records
Compound notes
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