2-(3,3-dimethylazetidin-1-yl)-N-(5,6-dimethyl-3-pyridinyl)acetamide

C14H21N3O — CID 170635035

IUPAC2-(3,3-dimethylazetidin-1-yl)-N-(5,6-dimethyl-3-pyridinyl)acetamide
SMILESCc1cc(NC(=O)CN2CC(C)(C)C2)cnc1C
InChIInChI=1S/C14H21N3O/c1-10-5-12(6-15-11(10)2)16-13(18)7-17-8-14(3,4)9-17/h5-6H,7-9H2,1-4H3,(H,16,18)
InChIKeyXIOGBGCAMPQCPY-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.98
Rot. Bonds3

About 2-(3,3-dimethylazetidin-1-yl)-N-(5,6-dimethyl-3-pyridinyl)acetamide

2-(3,3-dimethylazetidin-1-yl)-N-(5,6-dimethyl-3-pyridinyl)acetamide (PubChem CID 170635035) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(3,3-dimethylazetidin-1-yl)-N-(5,6-dimethyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3,3-dimethylazetidin-1-yl)-N-(5,6-dimethyl-3-pyridinyl)acetamide
PubChem CID170635035
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(3,3-dimethylazetidin-1-yl)-N-(5,6-dimethyl-3-pyridinyl)acetamide
SMILESCc1cc(NC(=O)CN2CC(C)(C)C2)cnc1C
InChIInChI=1S/C14H21N3O/c1-10-5-12(6-15-11(10)2)16-13(18)7-17-8-14(3,4)9-17/h5-6H,7-9H2,1-4H3,(H,16,18)
InChIKeyXIOGBGCAMPQCPY-UHFFFAOYSA-N
XLogP1.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylazetidin-1-yl)-N-(5,6-dimethyl-3-pyridinyl)acetamide?
The IUPAC name of 2-(3,3-dimethylazetidin-1-yl)-N-(5,6-dimethyl-3-pyridinyl)acetamide (CID 170635035) is 2-(3,3-dimethylazetidin-1-yl)-N-(5,6-dimethyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(3,3-dimethylazetidin-1-yl)-N-(5,6-dimethyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(3,3-dimethylazetidin-1-yl)-N-(5,6-dimethyl-3-pyridinyl)acetamide is Cc1cc(NC(=O)CN2CC(C)(C)C2)cnc1C.
What is the InChIKey of 2-(3,3-dimethylazetidin-1-yl)-N-(5,6-dimethyl-3-pyridinyl)acetamide?
The InChIKey is XIOGBGCAMPQCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-5-12(6-15-11(10)2)16-13(18)7-17-8-14(3,4)9-17/h5-6H,7-9H2,1-4H3,(H,16,18).
What are the key properties of 2-(3,3-dimethylazetidin-1-yl)-N-(5,6-dimethyl-3-pyridinyl)acetamide?
2-(3,3-dimethylazetidin-1-yl)-N-(5,6-dimethyl-3-pyridinyl)acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylazetidin-1-yl)-N-(5,6-dimethyl-3-pyridinyl)acetamide is sourced from PubChem (CID 170635035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).