N-[[6-(dimethylamino)-2-pyridinyl]methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide

C17H23N3O2 — CID 102560663

IUPACN-[[6-(dimethylamino)-2-pyridinyl]methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide
SMILESCN(C)c1cccc(CNC(=O)C2CC3CCC(C2)C3=O)n1
InChIInChI=1S/C17H23N3O2/c1-20(2)15-5-3-4-14(19-15)10-18-17(22)13-8-11-6-7-12(9-13)16(11)21/h3-5,11-13H,6-10H2,1-2H3,(H,18,22)
InChIKeyAKEDCURQNRWQGL-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.77
Rot. Bonds4

About N-[[6-(dimethylamino)-2-pyridinyl]methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide

N-[[6-(dimethylamino)-2-pyridinyl]methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide (PubChem CID 102560663) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-2-pyridinyl]methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-2-pyridinyl]methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide
PubChem CID102560663
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[[6-(dimethylamino)-2-pyridinyl]methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide
SMILESCN(C)c1cccc(CNC(=O)C2CC3CCC(C2)C3=O)n1
InChIInChI=1S/C17H23N3O2/c1-20(2)15-5-3-4-14(19-15)10-18-17(22)13-8-11-6-7-12(9-13)16(11)21/h3-5,11-13H,6-10H2,1-2H3,(H,18,22)
InChIKeyAKEDCURQNRWQGL-UHFFFAOYSA-N
XLogP1.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide (CID 102560663) is N-[[6-(dimethylamino)-2-pyridinyl]methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for N-[[6-(dimethylamino)-2-pyridinyl]methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for N-[[6-(dimethylamino)-2-pyridinyl]methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide is CN(C)c1cccc(CNC(=O)C2CC3CCC(C2)C3=O)n1.
What is the InChIKey of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is AKEDCURQNRWQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-20(2)15-5-3-4-14(19-15)10-18-17(22)13-8-11-6-7-12(9-13)16(11)21/h3-5,11-13H,6-10H2,1-2H3,(H,18,22).
What are the key properties of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide?
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-2-pyridinyl]methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 102560663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).