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Basic information
- Standard SMILES
Cc1[nH]c(C(=O)NC2CCN(c3cc(C(=O)NN)nc(Cl)n3)CC2)c(Cl)c1Cl- InChIKey
KZVDMMQHQYGQGF-UHFFFAOYSA-N- Molecular formula
- C16H18Cl3N7O2
- Average molar mass
- 446.7 g/mol
- Monoisotopic mass
- 445.058756
Names & identifiers
- Preferred name
- 3,4-Dichloro-N-{1-[2-chloro-6-(hydrazinocarbonyl)pyrimidin-4-yl]piperidin-4-yl}-5-methyl-1H-pyrrole-2-carboxamide
- IUPAC
- 3,4-dichloro-N-[1-[2-chloro-6-(hydrazinecarbonyl)pyrimidin-4-yl]piperidin-4-yl]-5-methyl-1H-pyrrole-2-carboxamide
Names & synonyms
SCHEMBL3287818KZVDMMQHQYGQGF-UHFFFAOYSA-N3,4-Dichloro-N-{1-[2-chloro-6-(hydrazinocarbonyl)pyrimidin-4-yl]piperidin-4-yl}-5-methyl-1H-pyrrole-2-carboxamide
Database identifiers
- PubChem CID
- 86608331
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 578
Related reactions
1 records
Compound notes
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