4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carboxamide

C15H22N4O — CID 81052090

IUPAC4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(N2C3CCC2CC(N)C3)c(C(N)=O)c(C)n1
InChIInChI=1S/C15H22N4O/c1-8-5-13(14(15(17)20)9(2)18-8)19-11-3-4-12(19)7-10(16)6-11/h5,10-12H,3-4,6-7,16H2,1-2H3,(H2,17,20)
InChIKeyHFUFCGIIMLBKDQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.26
Rot. Bonds2

About 4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carboxamide

4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 81052090) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID81052090
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(N2C3CCC2CC(N)C3)c(C(N)=O)c(C)n1
InChIInChI=1S/C15H22N4O/c1-8-5-13(14(15(17)20)9(2)18-8)19-11-3-4-12(19)7-10(16)6-11/h5,10-12H,3-4,6-7,16H2,1-2H3,(H2,17,20)
InChIKeyHFUFCGIIMLBKDQ-UHFFFAOYSA-N
XLogP1.26
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carboxamide (CID 81052090) is 4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carboxamide is Cc1cc(N2C3CCC2CC(N)C3)c(C(N)=O)c(C)n1.
What is the InChIKey of 4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is HFUFCGIIMLBKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-8-5-13(14(15(17)20)9(2)18-8)19-11-3-4-12(19)7-10(16)6-11/h5,10-12H,3-4,6-7,16H2,1-2H3,(H2,17,20).
What are the key properties of 4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carboxamide?
4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 81052090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).