6-amino-7,7-dimethyl-N-(1-pyridin-3-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C16H23N3O2 — CID 114945357

IUPAC6-amino-7,7-dimethyl-N-(1-pyridin-3-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC(NC(=O)C1(N)C2CCOC2C1(C)C)c1cccnc1
InChIInChI=1S/C16H23N3O2/c1-10(11-5-4-7-18-9-11)19-14(20)16(17)12-6-8-21-13(12)15(16,2)3/h4-5,7,9-10,12-13H,6,8,17H2,1-3H3,(H,19,20)
InChIKeyLXDPMTGRHAQZGP-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.40
Rot. Bonds3

About 6-amino-7,7-dimethyl-N-(1-pyridin-3-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-7,7-dimethyl-N-(1-pyridin-3-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114945357) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-amino-7,7-dimethyl-N-(1-pyridin-3-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-7,7-dimethyl-N-(1-pyridin-3-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114945357
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-amino-7,7-dimethyl-N-(1-pyridin-3-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC(NC(=O)C1(N)C2CCOC2C1(C)C)c1cccnc1
InChIInChI=1S/C16H23N3O2/c1-10(11-5-4-7-18-9-11)19-14(20)16(17)12-6-8-21-13(12)15(16,2)3/h4-5,7,9-10,12-13H,6,8,17H2,1-3H3,(H,19,20)
InChIKeyLXDPMTGRHAQZGP-UHFFFAOYSA-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-(1-pyridin-3-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
2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]propanoic acid
CID 114945681
1-(1-pyridin-3-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62095230
1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide
CID 115453576
3-amino-N-[(1S)-1-pyridin-3-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 81404200
8,8-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 81406737
4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404724
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 115576612
2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81405144
3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119863798
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131

Frequently Asked Questions

What is the IUPAC name of 6-amino-7,7-dimethyl-N-(1-pyridin-3-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-7,7-dimethyl-N-(1-pyridin-3-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114945357) is 6-amino-7,7-dimethyl-N-(1-pyridin-3-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-7,7-dimethyl-N-(1-pyridin-3-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-7,7-dimethyl-N-(1-pyridin-3-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CC(NC(=O)C1(N)C2CCOC2C1(C)C)c1cccnc1.
What is the InChIKey of 6-amino-7,7-dimethyl-N-(1-pyridin-3-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is LXDPMTGRHAQZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(11-5-4-7-18-9-11)19-14(20)16(17)12-6-8-21-13(12)15(16,2)3/h4-5,7,9-10,12-13H,6,8,17H2,1-3H3,(H,19,20).
What are the key properties of 6-amino-7,7-dimethyl-N-(1-pyridin-3-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-7,7-dimethyl-N-(1-pyridin-3-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-(1-pyridin-3-ylethyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114945357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).