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

C14H18ClN3O — CID 79607334

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H18ClN3O/c15-10-1-4-13(16-8-10)18-14(19)7-9-5-11-2-3-12(6-9)17-11/h1,4,8-9,11-12,17H,2-3,5-7H2,(H,16,18,19)
InChIKeyHKCMGZMLBQYFFM-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.59
Rot. Bonds3

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 79607334) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID79607334
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H18ClN3O/c15-10-1-4-13(16-8-10)18-14(19)7-9-5-11-2-3-12(6-9)17-11/h1,4,8-9,11-12,17H,2-3,5-7H2,(H,16,18,19)
InChIKeyHKCMGZMLBQYFFM-UHFFFAOYSA-N
XLogP2.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]acetamide
CID 119864125
N-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride
CID 119879379
N-(6-anilino-3-pyridinyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119870635
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-4-chlorophenyl)acetamide
CID 81264370
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-chloro-4-methyl-3-pyridinyl)acetamide
CID 79614972
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide
CID 79607934
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 107790306
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide
CID 79607339
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]acetamide
CID 119900852
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119772678
5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chlorobenzamide;hydrochloride
CID 119711582
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]acetamide;dihydrochloride
CID 119900851

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-chloro-2-pyridinyl)acetamide (CID 79607334) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-chloro-2-pyridinyl)acetamide is O=C(CC1CC2CCC(C1)N2)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is HKCMGZMLBQYFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-10-1-4-13(16-8-10)18-14(19)7-9-5-11-2-3-12(6-9)17-11/h1,4,8-9,11-12,17H,2-3,5-7H2,(H,16,18,19).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-chloro-2-pyridinyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 279.77 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 79607334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).