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

C15H22N4O — CID 61232175

IUPAC2-(8-azabicyclo[3.2.1]octan-3-ylamino)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(NC2CC3CCC(C2)N3)n1
InChIInChI=1S/C15H22N4O/c1-8-5-9(2)17-15(13(8)14(16)20)19-12-6-10-3-4-11(7-12)18-10/h5,10-12,18H,3-4,6-7H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyASUKJLNGYRKAPA-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.49
Rot. Bonds3

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

2-(8-azabicyclo[3.2.1]octan-3-ylamino)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 61232175) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-ylamino)-4,6-dimethylpyridine-3-carboxamide
PubChem CID61232175
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-ylamino)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(NC2CC3CCC(C2)N3)n1
InChIInChI=1S/C15H22N4O/c1-8-5-9(2)17-15(13(8)14(16)20)19-12-6-10-3-4-11(7-12)18-10/h5,10-12,18H,3-4,6-7H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyASUKJLNGYRKAPA-UHFFFAOYSA-N
XLogP1.49
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-4,6-dimethylpyridine-3-carboxamide (CID 61232175) is 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(N)=O)c(NC2CC3CCC(C2)N3)n1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is ASUKJLNGYRKAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-8-5-9(2)17-15(13(8)14(16)20)19-12-6-10-3-4-11(7-12)18-10/h5,10-12,18H,3-4,6-7H2,1-2H3,(H2,16,20)(H,17,19).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-4,6-dimethylpyridine-3-carboxamide?
2-(8-azabicyclo[3.2.1]octan-3-ylamino)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 61232175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).