N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-(trifluoromethyl)pyridine-2-carboxamide

C14H15ClF3N3O — CID 22243249

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C14H15ClF3N3O/c15-12-9(14(16,17)18)1-2-10(19-12)13(22)20-11-7-21-5-3-8(11)4-6-21/h1-2,8,11H,3-7H2,(H,20,22)
InChIKeyIUWOPGXFHRUSRC-UHFFFAOYSA-N
MW333.74 g/mol
LogP2.58
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-(trifluoromethyl)pyridine-2-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 22243249) has the molecular formula C14H15ClF3N3O and a molecular weight of 333.74 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID22243249
Molecular FormulaC14H15ClF3N3O
Molecular Weight333.74 g/mol
Exact Mass333.09
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C14H15ClF3N3O/c15-12-9(14(16,17)18)1-2-10(19-12)13(22)20-11-7-21-5-3-8(11)4-6-21/h1-2,8,11H,3-7H2,(H,20,22)
InChIKeyIUWOPGXFHRUSRC-UHFFFAOYSA-N
XLogP2.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.74
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-fluoropyridine-2-carboxamide
CID 22243459
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-fluoropyridine-2-carboxamide
CID 22243337
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide
CID 60858694
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide
CID 58651148
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-fluoro-4-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 45381522
6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide
CID 62154374
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-4-fluoropyrimidine-2-carboxamide
CID 22243283
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 18180343
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide
CID 3523885
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 23599504
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 62167266
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-(trifluoromethyl)pyridine-2-carboxamide (CID 22243249) is N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-(trifluoromethyl)pyridine-2-carboxamide is O=C(NC1CN2CCC1CC2)c1ccc(C(F)(F)F)c(Cl)n1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is IUWOPGXFHRUSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3O/c15-12-9(14(16,17)18)1-2-10(19-12)13(22)20-11-7-21-5-3-8(11)4-6-21/h1-2,8,11H,3-7H2,(H,20,22).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 333.74 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 22243249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).