N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxamide

C23H28N2O3 — CID 91762788

IUPACN-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxamide
SMILESCCc1c(C)cc(C(=O)N[C@@H]2[C@@H](Cc3ccccc3)[C@H]3OCC[C@@H]23)c(=O)n1C
InChIInChI=1S/C23H28N2O3/c1-4-19-14(2)12-18(23(27)25(19)3)22(26)24-20-16-10-11-28-21(16)17(20)13-15-8-6-5-7-9-15/h5-9,12,16-17,20-21H,4,10-11,13H2,1-3H3,(H,24,26)/t16-,17+,20-,21-/m0/s1
InChIKeyXSRYKXVUONKZQV-JWWGGVBKSA-N
MW380.49 g/mol
LogP2.63
Rot. Bonds5

About N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxamide

N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 91762788) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID91762788
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxamide
SMILESCCc1c(C)cc(C(=O)N[C@@H]2[C@@H](Cc3ccccc3)[C@H]3OCC[C@@H]23)c(=O)n1C
InChIInChI=1S/C23H28N2O3/c1-4-19-14(2)12-18(23(27)25(19)3)22(26)24-20-16-10-11-28-21(16)17(20)13-15-8-6-5-7-9-15/h5-9,12,16-17,20-21H,4,10-11,13H2,1-3H3,(H,24,26)/t16-,17+,20-,21-/m0/s1
InChIKeyXSRYKXVUONKZQV-JWWGGVBKSA-N
XLogP2.63
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxamide with MolForge

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Related Compounds

N-[1-(4-methylphenyl)-2-(oxolan-2-yl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464453
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CID 137993433
N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 164640186
N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxo-1-pyridinyl)acetamide
CID 164641799
N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-hydroxy-6-[(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)methyl]nicotinamide
CID 45246037
1-(3-ethoxycyclobutyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166137
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CID 26353416
N-[(4R)-2,2-dimethyloxan-4-yl]-2-oxo-6-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-pyridine-3-carboxamide
CID 26353421
N-[4-(oxolan-2-yl)butan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 56308488
6-methyl-3-[4-(2-phenylethoxy)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 72046901
2-oxo-N-[2-(oxolan-2-yl)ethyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 72049470
6-(3-methylphenyl)-2-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide
CID 72049471

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxamide (CID 91762788) is N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxamide is CCc1c(C)cc(C(=O)N[C@@H]2[C@@H](Cc3ccccc3)[C@H]3OCC[C@@H]23)c(=O)n1C.
What is the InChIKey of N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is XSRYKXVUONKZQV-JWWGGVBKSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-4-19-14(2)12-18(23(27)25(19)3)22(26)24-20-16-10-11-28-21(16)17(20)13-15-8-6-5-7-9-15/h5-9,12,16-17,20-21H,4,10-11,13H2,1-3H3,(H,24,26)/t16-,17+,20-,21-/m0/s1.
What are the key properties of N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxamide?
N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 91762788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).