N-(2-chloro-4-pyridinyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide

C14H16ClN3O3 — CID 154802517

IUPACN-(2-chloro-4-pyridinyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide
SMILESO=C(Nc1ccnc(Cl)c1)C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H16ClN3O3/c15-12-5-8(3-4-16-12)17-13(20)14(21)18-9-1-2-10(18)7-11(19)6-9/h3-5,9-11,19H,1-2,6-7H2,(H,16,17,20)
InChIKeyQHGIIIWSZILKIX-UHFFFAOYSA-N
MW309.75 g/mol
LogP1.19
Rot. Bonds1

About N-(2-chloro-4-pyridinyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide

N-(2-chloro-4-pyridinyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide (PubChem CID 154802517) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide
PubChem CID154802517
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC NameN-(2-chloro-4-pyridinyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide
SMILESO=C(Nc1ccnc(Cl)c1)C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H16ClN3O3/c15-12-5-8(3-4-16-12)17-13(20)14(21)18-9-1-2-10(18)7-11(19)6-9/h3-5,9-11,19H,1-2,6-7H2,(H,16,17,20)
InChIKeyQHGIIIWSZILKIX-UHFFFAOYSA-N
XLogP1.19
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide (CID 154802517) is N-(2-chloro-4-pyridinyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide is O=C(Nc1ccnc(Cl)c1)C(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide?
The InChIKey is QHGIIIWSZILKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c15-12-5-8(3-4-16-12)17-13(20)14(21)18-9-1-2-10(18)7-11(19)6-9/h3-5,9-11,19H,1-2,6-7H2,(H,16,17,20).
What are the key properties of N-(2-chloro-4-pyridinyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide?
N-(2-chloro-4-pyridinyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide has a molecular weight of 309.75 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide is sourced from PubChem (CID 154802517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).