2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide

C17H26N4O — CID 119850358

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide
SMILESCN(C)c1ncccc1CNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C17H26N4O/c1-21(2)17-13(4-3-7-18-17)11-19-16(22)10-12-8-14-5-6-15(9-12)20-14/h3-4,7,12,14-15,20H,5-6,8-11H2,1-2H3,(H,19,22)
InChIKeyZRPSIYUNLAQOHQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.68
Rot. Bonds5

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide (PubChem CID 119850358) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide
PubChem CID119850358
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide
SMILESCN(C)c1ncccc1CNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C17H26N4O/c1-21(2)17-13(4-3-7-18-17)11-19-16(22)10-12-8-14-5-6-15(9-12)20-14/h3-4,7,12,14-15,20H,5-6,8-11H2,1-2H3,(H,19,22)
InChIKeyZRPSIYUNLAQOHQ-UHFFFAOYSA-N
XLogP1.68
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 119850355
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]acetamide;dihydrochloride
CID 119896545
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119679698
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119861643
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 79607003
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide
CID 119740842
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride
CID 119739831
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119718343
3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119850372
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-nitrophenyl)methyl]acetamide
CID 119706783
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 119715914
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 119842534

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide (CID 119850358) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide is CN(C)c1ncccc1CNC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide?
The InChIKey is ZRPSIYUNLAQOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-21(2)17-13(4-3-7-18-17)11-19-16(22)10-12-8-14-5-6-15(9-12)20-14/h3-4,7,12,14-15,20H,5-6,8-11H2,1-2H3,(H,19,22).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide has a molecular weight of 302.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 119850358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).