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

C15H24N4O2 — CID 106104910

IUPAC6-amino-7,7-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCn1ccc(CCNC(=O)C2(N)C3CCOC3C2(C)C)n1
InChIInChI=1S/C15H24N4O2/c1-14(2)12-11(6-9-21-12)15(14,16)13(20)17-7-4-10-5-8-19(3)18-10/h5,8,11-12H,4,6-7,9,16H2,1-3H3,(H,17,20)
InChIKeyFCNOBKKYJAOFTF-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.22
Rot. Bonds4

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

6-amino-7,7-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 106104910) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-amino-7,7-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-7,7-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID106104910
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name6-amino-7,7-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCn1ccc(CCNC(=O)C2(N)C3CCOC3C2(C)C)n1
InChIInChI=1S/C15H24N4O2/c1-14(2)12-11(6-9-21-12)15(14,16)13(20)17-7-4-10-5-8-19(3)18-10/h5,8,11-12H,4,6-7,9,16H2,1-3H3,(H,17,20)
InChIKeyFCNOBKKYJAOFTF-UHFFFAOYSA-N
XLogP0.22
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-7,7-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946520
6-amino-7,7-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946091
6-amino-N-[3-(diethylamino)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945130
1-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 106105095
4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide
CID 106104420
cis-(1S,2R)-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106104131
2-(1-aminocyclobutyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106104898
6-amino-N-(2,6-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945252
7-amino-N-(2-ethylsulfonylethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 102611573
4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 106104900
2-[4-(aminomethyl)phenyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106103870
5-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide
CID 106106377

Frequently Asked Questions

What is the IUPAC name of 6-amino-7,7-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-7,7-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 106104910) is 6-amino-7,7-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-7,7-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-7,7-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide is Cn1ccc(CCNC(=O)C2(N)C3CCOC3C2(C)C)n1.
What is the InChIKey of 6-amino-7,7-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is FCNOBKKYJAOFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-14(2)12-11(6-9-21-12)15(14,16)13(20)17-7-4-10-5-8-19(3)18-10/h5,8,11-12H,4,6-7,9,16H2,1-3H3,(H,17,20).
What are the key properties of 6-amino-7,7-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-7,7-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.22, 4 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-[2-(1-methylpyrazol-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 106104910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).