N-(6-methyl-3-pyridinyl)-2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)acetamide

C13H17N3O2 — CID 175759625

IUPACN-(6-methyl-3-pyridinyl)-2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CC3CC(C2)O3)cn1
InChIInChI=1S/C13H17N3O2/c1-9-2-3-10(5-14-9)15-13(17)8-16-6-11-4-12(7-16)18-11/h2-3,5,11-12H,4,6-8H2,1H3,(H,15,17)
InChIKeyWYGJWUZOSPDFCR-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.80
Rot. Bonds3

About N-(6-methyl-3-pyridinyl)-2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)acetamide

N-(6-methyl-3-pyridinyl)-2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)acetamide (PubChem CID 175759625) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(6-methyl-3-pyridinyl)-2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-methyl-3-pyridinyl)-2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)acetamide
PubChem CID175759625
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(6-methyl-3-pyridinyl)-2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CC3CC(C2)O3)cn1
InChIInChI=1S/C13H17N3O2/c1-9-2-3-10(5-14-9)15-13(17)8-16-6-11-4-12(7-16)18-11/h2-3,5,11-12H,4,6-8H2,1H3,(H,15,17)
InChIKeyWYGJWUZOSPDFCR-UHFFFAOYSA-N
XLogP0.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 6465799
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)acetamide
CID 703778
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
(3S,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 56868089
N-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899342
N-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide
CID 112532425
N-(2-amino-4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 66391472
N-(3-chloro-4-methylphenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935978
N-(3-fluoro-4-methylphenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935699
N-[4-(aminomethyl)phenyl]-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102932274
2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 63874471
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-ethylphenyl)acetamide
CID 8899824

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-pyridinyl)-2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)acetamide?
The IUPAC name of N-(6-methyl-3-pyridinyl)-2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)acetamide (CID 175759625) is N-(6-methyl-3-pyridinyl)-2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)acetamide.
What is the SMILES notation for N-(6-methyl-3-pyridinyl)-2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)acetamide?
The canonical SMILES for N-(6-methyl-3-pyridinyl)-2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)acetamide is Cc1ccc(NC(=O)CN2CC3CC(C2)O3)cn1.
What is the InChIKey of N-(6-methyl-3-pyridinyl)-2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)acetamide?
The InChIKey is WYGJWUZOSPDFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-2-3-10(5-14-9)15-13(17)8-16-6-11-4-12(7-16)18-11/h2-3,5,11-12H,4,6-8H2,1H3,(H,15,17).
What are the key properties of N-(6-methyl-3-pyridinyl)-2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)acetamide?
N-(6-methyl-3-pyridinyl)-2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)acetamide has a molecular weight of 247.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-pyridinyl)-2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)acetamide is sourced from PubChem (CID 175759625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).