N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-6-methylpyrimidine-4-carboxamide

C15H23N5O — CID 91948681

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CN3CCC2CC3)nc(N(C)C)n1
InChIInChI=1S/C15H23N5O/c1-10-8-12(18-15(16-10)19(2)3)14(21)17-13-9-20-6-4-11(13)5-7-20/h8,11,13H,4-7,9H2,1-3H3,(H,17,21)
InChIKeyUDWWGENTMYFRGO-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.68
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-6-methylpyrimidine-4-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 91948681) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID91948681
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CN3CCC2CC3)nc(N(C)C)n1
InChIInChI=1S/C15H23N5O/c1-10-8-12(18-15(16-10)19(2)3)14(21)17-13-9-20-6-4-11(13)5-7-20/h8,11,13H,4-7,9H2,1-3H3,(H,17,21)
InChIKeyUDWWGENTMYFRGO-UHFFFAOYSA-N
XLogP0.68
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-6-methylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 91948639
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide
CID 58932940
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]-6-methylpyrrolo[1,2-c]pyrimidine-3-carboxamide
CID 10286182
N-(1-azabicyclo[2.2.2]octan-3-yl)-7-methylsulfanylfuro[2,3-c]pyridine-5-carboxamide
CID 22046990
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62165695
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide
CID 91948829
6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide
CID 62154374
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[3,4-c]pyridine-6-carboxamide;methanesulfonic acid
CID 87925336
ethyl 4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116697644
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

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-6-methylpyrimidine-4-carboxamide (CID 91948681) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CN3CCC2CC3)nc(N(C)C)n1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is UDWWGENTMYFRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10-8-12(18-15(16-10)19(2)3)14(21)17-13-9-20-6-4-11(13)5-7-20/h8,11,13H,4-7,9H2,1-3H3,(H,17,21).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-6-methylpyrimidine-4-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 91948681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).