5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-2-carboxamide

C13H18N4O — CID 145145571

IUPAC5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-2-carboxamide
SMILESCN1CC2CCC(C1)N2c1ccc(C(N)=O)nc1
InChIInChI=1S/C13H18N4O/c1-16-7-10-2-3-11(8-16)17(10)9-4-5-12(13(14)18)15-6-9/h4-6,10-11H,2-3,7-8H2,1H3,(H2,14,18)
InChIKeyOZEWJEQJCHHPJE-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.46
Rot. Bonds2

About 5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-2-carboxamide

5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-2-carboxamide (PubChem CID 145145571) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-2-carboxamide
PubChem CID145145571
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-2-carboxamide
SMILESCN1CC2CCC(C1)N2c1ccc(C(N)=O)nc1
InChIInChI=1S/C13H18N4O/c1-16-7-10-2-3-11(8-16)17(10)9-4-5-12(13(14)18)15-6-9/h4-6,10-11H,2-3,7-8H2,1H3,(H2,14,18)
InChIKeyOZEWJEQJCHHPJE-UHFFFAOYSA-N
XLogP0.46
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-2-carboxamide (CID 145145571) is 5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-2-carboxamide is CN1CC2CCC(C1)N2c1ccc(C(N)=O)nc1.
What is the InChIKey of 5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-2-carboxamide?
The InChIKey is OZEWJEQJCHHPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-16-7-10-2-3-11(8-16)17(10)9-4-5-12(13(14)18)15-6-9/h4-6,10-11H,2-3,7-8H2,1H3,(H2,14,18).
What are the key properties of 5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-2-carboxamide?
5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-2-carboxamide is sourced from PubChem (CID 145145571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).