6-amino-7,7-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C16H23N3O2 — CID 104985291

IUPAC6-amino-7,7-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESC[C@@H](NC(=O)C1(N)C2CCOC2C1(C)C)c1ccccn1
InChIInChI=1S/C16H23N3O2/c1-10(12-6-4-5-8-18-12)19-14(20)16(17)11-7-9-21-13(11)15(16,2)3/h4-6,8,10-11,13H,7,9,17H2,1-3H3,(H,19,20)/t10-,11?,13?,16?/m1/s1
InChIKeyAFVFYWNQHGVBGK-KJLLJONBSA-N
MW289.38 g/mol
LogP1.40
Rot. Bonds3

About 6-amino-7,7-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-7,7-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 104985291) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-amino-7,7-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-7,7-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID104985291
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-amino-7,7-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESC[C@@H](NC(=O)C1(N)C2CCOC2C1(C)C)c1ccccn1
InChIInChI=1S/C16H23N3O2/c1-10(12-6-4-5-8-18-12)19-14(20)16(17)11-7-9-21-13(11)15(16,2)3/h4-6,8,10-11,13H,7,9,17H2,1-3H3,(H,19,20)/t10-,11?,13?,16?/m1/s1
InChIKeyAFVFYWNQHGVBGK-KJLLJONBSA-N
XLogP1.40
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-amino-7,7-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide with MolForge

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Related Compounds

6-amino-7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946165
6-amino-7,7-dimethyl-N-(1-pyridin-3-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945357
6-amino-7,7-dimethyl-N-(1-thiophen-2-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945373
2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]propanoic acid
CID 114945681
7-amino-8,8-dimethyl-N-pyrimidin-2-yl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945201
1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide
CID 81179767
4-(N'-hydroxycarbamimidoyl)-N-(1-pyridin-2-ylethyl)oxane-4-carboxamide
CID 76919981
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 80597057
6-amino-7,7-dimethyl-N-(6-methylheptan-2-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945758
6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945014
6-amino-N-(2,6-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945252
7-amino-N-[(1S)-1-cyclopentylethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 104985278

Frequently Asked Questions

What is the IUPAC name of 6-amino-7,7-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-7,7-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 104985291) is 6-amino-7,7-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-7,7-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-7,7-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide is C[C@@H](NC(=O)C1(N)C2CCOC2C1(C)C)c1ccccn1.
What is the InChIKey of 6-amino-7,7-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is AFVFYWNQHGVBGK-KJLLJONBSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(12-6-4-5-8-18-12)19-14(20)16(17)11-7-9-21-13(11)15(16,2)3/h4-6,8,10-11,13H,7,9,17H2,1-3H3,(H,19,20)/t10-,11?,13?,16?/m1/s1.
What are the key properties of 6-amino-7,7-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-7,7-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7,7-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 104985291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).