2-[3-[(5-chloro-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]acetamide

C14H18ClN3O2 — CID 11572942

IUPAC2-[3-[(5-chloro-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESNC(=O)CN1C2CCC1CC(Oc1ccc(Cl)cn1)C2
InChIInChI=1S/C14H18ClN3O2/c15-9-1-4-14(17-7-9)20-12-5-10-2-3-11(6-12)18(10)8-13(16)19/h1,4,7,10-12H,2-3,5-6,8H2,(H2,16,19)
InChIKeyIUUGUKZBNRXANW-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.59
Rot. Bonds4

About 2-[3-[(5-chloro-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]acetamide

2-[3-[(5-chloro-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]acetamide (PubChem CID 11572942) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[3-[(5-chloro-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]acetamide.

Molecular Properties

Compound Name2-[3-[(5-chloro-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]acetamide
PubChem CID11572942
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-[3-[(5-chloro-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESNC(=O)CN1C2CCC1CC(Oc1ccc(Cl)cn1)C2
InChIInChI=1S/C14H18ClN3O2/c15-9-1-4-14(17-7-9)20-12-5-10-2-3-11(6-12)18(10)8-13(16)19/h1,4,7,10-12H,2-3,5-6,8H2,(H2,16,19)
InChIKeyIUUGUKZBNRXANW-UHFFFAOYSA-N
XLogP1.59
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-chloro-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The IUPAC name of 2-[3-[(5-chloro-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]acetamide (CID 11572942) is 2-[3-[(5-chloro-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]acetamide.
What is the SMILES notation for 2-[3-[(5-chloro-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The canonical SMILES for 2-[3-[(5-chloro-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]acetamide is NC(=O)CN1C2CCC1CC(Oc1ccc(Cl)cn1)C2.
What is the InChIKey of 2-[3-[(5-chloro-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The InChIKey is IUUGUKZBNRXANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-9-1-4-14(17-7-9)20-12-5-10-2-3-11(6-12)18(10)8-13(16)19/h1,4,7,10-12H,2-3,5-6,8H2,(H2,16,19).
What are the key properties of 2-[3-[(5-chloro-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
2-[3-[(5-chloro-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]acetamide has a molecular weight of 295.77 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-chloro-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]acetamide is sourced from PubChem (CID 11572942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).