6-amino-7,7-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C14H22N4O2 — CID 114946520

IUPAC6-amino-7,7-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCn1ccc(CNC(=O)C2(N)C3CCOC3C2(C)C)n1
InChIInChI=1S/C14H22N4O2/c1-13(2)11-10(5-7-20-11)14(13,15)12(19)16-8-9-4-6-18(3)17-9/h4,6,10-11H,5,7-8,15H2,1-3H3,(H,16,19)
InChIKeyLZUQGWLIBZOIAJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.18
Rot. Bonds3

About 6-amino-7,7-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-7,7-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114946520) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-amino-7,7-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-7,7-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114946520
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name6-amino-7,7-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCn1ccc(CNC(=O)C2(N)C3CCOC3C2(C)C)n1
InChIInChI=1S/C14H22N4O2/c1-13(2)11-10(5-7-20-11)14(13,15)12(19)16-8-9-4-6-18(3)17-9/h4,6,10-11H,5,7-8,15H2,1-3H3,(H,16,19)
InChIKeyLZUQGWLIBZOIAJ-UHFFFAOYSA-N
XLogP0.18
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-amino-7,7-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide with MolForge

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Related Compounds

6-amino-7,7-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106104910
6-amino-7,7-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946091
1-amino-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide
CID 82873363
7-amino-N-[(4-bromothiophen-2-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946144
6-amino-N-[3-(diethylamino)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945130
6-amino-N-(2,6-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945252
2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 82873603
2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 82873513
6-amino-7,7-dimethyl-N-(1-thiophen-2-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945373
1-(4-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 115913896
6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945084
1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 82873497

Frequently Asked Questions

What is the IUPAC name of 6-amino-7,7-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-7,7-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114946520) is 6-amino-7,7-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-7,7-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-7,7-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide is Cn1ccc(CNC(=O)C2(N)C3CCOC3C2(C)C)n1.
What is the InChIKey of 6-amino-7,7-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is LZUQGWLIBZOIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-13(2)11-10(5-7-20-11)14(13,15)12(19)16-8-9-4-6-18(3)17-9/h4,6,10-11H,5,7-8,15H2,1-3H3,(H,16,19).
What are the key properties of 6-amino-7,7-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-7,7-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7,7-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114946520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).