7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide

C16H23N3O2 — CID 114946068

IUPAC7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCc1cnccc1NC(=O)C1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C16H23N3O2/c1-10-9-18-7-6-12(10)19-14(20)16(17)11-5-4-8-21-13(11)15(16,2)3/h6-7,9,11,13H,4-5,8,17H2,1-3H3,(H,18,19,20)
InChIKeyWWOQEDRKCWSRJF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.86
Rot. Bonds2

About 7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide

7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide (PubChem CID 114946068) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide.

Molecular Properties

Compound Name7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
PubChem CID114946068
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
SMILESCc1cnccc1NC(=O)C1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C16H23N3O2/c1-10-9-18-7-6-12(10)19-14(20)16(17)11-5-4-8-21-13(11)15(16,2)3/h6-7,9,11,13H,4-5,8,17H2,1-3H3,(H,18,19,20)
InChIKeyWWOQEDRKCWSRJF-UHFFFAOYSA-N
XLogP1.86
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide with MolForge

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Related Compounds

7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945201
7-amino-8,8-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945058
7-amino-8,8-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946084
6-amino-N-(2-bromo-3-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946445
6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946248
6-amino-N-(2-fluoro-4-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945241
7-amino-8,8-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945769
7-amino-N-cyclopentyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945025
7-amino-8,8-dimethyl-N-[(4-methylthiophen-3-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946384
6-amino-N-(5-bromo-3-methyl-2-pyridinyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946546
N-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 124698301
6-amino-7,7-dimethyl-N-(1-pyridin-3-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945357

Frequently Asked Questions

What is the IUPAC name of 7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The IUPAC name of 7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide (CID 114946068) is 7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide.
What is the SMILES notation for 7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The canonical SMILES for 7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide is Cc1cnccc1NC(=O)C1(N)C2CCCOC2C1(C)C.
What is the InChIKey of 7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide?
The InChIKey is WWOQEDRKCWSRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-9-18-7-6-12(10)19-14(20)16(17)11-5-4-8-21-13(11)15(16,2)3/h6-7,9,11,13H,4-5,8,17H2,1-3H3,(H,18,19,20).
What are the key properties of 7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide?
7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8,8-dimethyl-N-(3-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide is sourced from PubChem (CID 114946068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).