N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide

C12H15ClN4O — CID 60858694

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(Cl)nn1
InChIInChI=1S/C12H15ClN4O/c13-11-2-1-9(15-16-11)12(18)14-10-7-17-5-3-8(10)4-6-17/h1-2,8,10H,3-7H2,(H,14,18)
InChIKeySKHHBYINYXDYLB-UHFFFAOYSA-N
MW266.73 g/mol
LogP0.95
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide (PubChem CID 60858694) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide
PubChem CID60858694
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(Cl)nn1
InChIInChI=1S/C12H15ClN4O/c13-11-2-1-9(15-16-11)12(18)14-10-7-17-5-3-8(10)4-6-17/h1-2,8,10H,3-7H2,(H,14,18)
InChIKeySKHHBYINYXDYLB-UHFFFAOYSA-N
XLogP0.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-6-fluoropyridine-2-carboxamide
CID 22243337
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)-6-(propylamino)pyridazine-3-carboxamide
CID 62165513
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 22243249
6-chloro-N-cyclobutylpyridazine-3-carboxamide
CID 62416339
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide
CID 58651148
6-chloro-N-(2-methyloxolan-3-yl)pyridazine-3-carboxamide
CID 82726377
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide
CID 3523885
6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide
CID 61249649
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide (CID 60858694) is N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide is O=C(NC1CN2CCC1CC2)c1ccc(Cl)nn1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide?
The InChIKey is SKHHBYINYXDYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c13-11-2-1-9(15-16-11)12(18)14-10-7-17-5-3-8(10)4-6-17/h1-2,8,10H,3-7H2,(H,14,18).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide is sourced from PubChem (CID 60858694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).