(1S,5R)-1,3,3-trimethyl-N-(2-oxo-1H-pyridin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide

C16H23N3O2 — CID 118788846

IUPAC(1S,5R)-1,3,3-trimethyl-N-(2-oxo-1H-pyridin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)Nc2ccc[nH]c2=O)C1
InChIInChI=1S/C16H23N3O2/c1-15(2)7-11-8-16(3,9-15)10-19(11)14(21)18-12-5-4-6-17-13(12)20/h4-6,11H,7-10H2,1-3H3,(H,17,20)(H,18,21)/t11-,16-/m1/s1
InChIKeyQMHZZRJESNGENY-BDJLRTHQSA-N
MW289.38 g/mol
LogP2.81
Rot. Bonds1

About (1S,5R)-1,3,3-trimethyl-N-(2-oxo-1H-pyridin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide

(1S,5R)-1,3,3-trimethyl-N-(2-oxo-1H-pyridin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide (PubChem CID 118788846) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (1S,5R)-1,3,3-trimethyl-N-(2-oxo-1H-pyridin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-1,3,3-trimethyl-N-(2-oxo-1H-pyridin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide
PubChem CID118788846
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(1S,5R)-1,3,3-trimethyl-N-(2-oxo-1H-pyridin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)Nc2ccc[nH]c2=O)C1
InChIInChI=1S/C16H23N3O2/c1-15(2)7-11-8-16(3,9-15)10-19(11)14(21)18-12-5-4-6-17-13(12)20/h4-6,11H,7-10H2,1-3H3,(H,17,20)(H,18,21)/t11-,16-/m1/s1
InChIKeyQMHZZRJESNGENY-BDJLRTHQSA-N
XLogP2.81
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1,3,3-trimethyl-N-(2-oxo-1H-pyridin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide?
The IUPAC name of (1S,5R)-1,3,3-trimethyl-N-(2-oxo-1H-pyridin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide (CID 118788846) is (1S,5R)-1,3,3-trimethyl-N-(2-oxo-1H-pyridin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide.
What is the SMILES notation for (1S,5R)-1,3,3-trimethyl-N-(2-oxo-1H-pyridin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide?
The canonical SMILES for (1S,5R)-1,3,3-trimethyl-N-(2-oxo-1H-pyridin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide is CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)Nc2ccc[nH]c2=O)C1.
What is the InChIKey of (1S,5R)-1,3,3-trimethyl-N-(2-oxo-1H-pyridin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide?
The InChIKey is QMHZZRJESNGENY-BDJLRTHQSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-15(2)7-11-8-16(3,9-15)10-19(11)14(21)18-12-5-4-6-17-13(12)20/h4-6,11H,7-10H2,1-3H3,(H,17,20)(H,18,21)/t11-,16-/m1/s1.
What are the key properties of (1S,5R)-1,3,3-trimethyl-N-(2-oxo-1H-pyridin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide?
(1S,5R)-1,3,3-trimethyl-N-(2-oxo-1H-pyridin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1,3,3-trimethyl-N-(2-oxo-1H-pyridin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide is sourced from PubChem (CID 118788846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).