2-Chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxamide
Basic information
- CAS
186829-19-6- Standard SMILES
NC(=O)c1c(Cl)c(-c2cccnc2)n2c1CCCC2- InChIKey
KNGXENHWYNLKBU-UHFFFAOYSA-N- Molecular formula
- C14H14ClN3O
- Average molar mass
- 275.73 g/mol
- Monoisotopic mass
- 275.0825398
Names & identifiers
- Preferred name
- 2-Chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxamide
- IUPAC
- 2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxamide
- English name
- 2-chloro-5,6,7,8-tetrahydro-3-(3-pyridinyl)-1-Indolizinecarboxamide
- Molecular formula
- C14H14ClN3O
- Molecular weight
- 275.73
Names & synonyms
186829-19-6CMV4232-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxamideCMV-4232-chloro-5,6,7,8-tetrahydro-3-(3-pyridinyl)-1-Indolizinecarboxamide2-CHLORO-3-(PYRIDIN-3-YL)-5,6,7,8-TETRAHYDROINDOLIZINE-1-CARBOXAMIDEPDX37M872C1-INDOLIZINECARBOXAMIDE, 2-CHLORO-5,6,7,8-TETRAHYDRO-3-(3-PYRIDINYL)-RPR-1114232-chloro-3-(3-pyridyl)-5,6,7,8-tetrahydroindolizine-1-carboxamideUNII-PDX37M872CSCHEMBL895772
Show more names
orb2802454DTXSID40333187MFCD29069928DB-111995NS00116201T201513Q154108692-Chloro-3-pyridine-3-yl-5,6,7,8-tetrahydroindolizine 1-carboxamide
Database identifiers
- CAS
186829-19-6- PubChem CID
- 489128
- DTXSID
DTXSID40333187- UNII
- PDX37M872C
- Nikkaji
- J1.561.575C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Boiling point
- 425.6 · 425.6±45.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 15.66 · 15.66±0.20(Predicted)
- FDA UNII
- 37 M872C · PDX37M872C
Chemistry & industry
Pharmacology
Metabolism/Metabolites2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxamide has known human metabolites that include RPR 122701 and rac-RPR 127025.
Applications
UsesCMV-423 is an antiviral agent with potent in vitro activity against the beta-herpesvirus human cytomegalovirus (HCMV), human herpesvirus 6 (HHV-6) and 7 (HHV-7). CMV-423 can be utilized in antiviral research[1].
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