N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,4-dimethyl-6-oxo-1H-pyridine-3-carboxamide

C21H24N2O3 — CID 133267787

IUPACN-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,4-dimethyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)[nH]c(C)c1C(=O)N[C@@H]1[C@H]2CCO[C@H]2[C@H]1Cc1ccccc1
InChIInChI=1S/C21H24N2O3/c1-12-10-17(24)22-13(2)18(12)21(25)23-19-15-8-9-26-20(15)16(19)11-14-6-4-3-5-7-14/h3-7,10,15-16,19-20H,8-9,11H2,1-2H3,(H,22,24)(H,23,25)/t15-,16+,19-,20-/m1/s1
InChIKeyPNVXHCWMZAFUSG-WOUAJJJCSA-N
MW352.43 g/mol
LogP2.37
Rot. Bonds4

About N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,4-dimethyl-6-oxo-1H-pyridine-3-carboxamide

N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,4-dimethyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 133267787) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,4-dimethyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,4-dimethyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID133267787
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,4-dimethyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)[nH]c(C)c1C(=O)N[C@@H]1[C@H]2CCO[C@H]2[C@H]1Cc1ccccc1
InChIInChI=1S/C21H24N2O3/c1-12-10-17(24)22-13(2)18(12)21(25)23-19-15-8-9-26-20(15)16(19)11-14-6-4-3-5-7-14/h3-7,10,15-16,19-20H,8-9,11H2,1-2H3,(H,22,24)(H,23,25)/t15-,16+,19-,20-/m1/s1
InChIKeyPNVXHCWMZAFUSG-WOUAJJJCSA-N
XLogP2.37
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,4-dimethyl-6-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 164640186
N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide
CID 91775976
N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
CID 91777813
N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 91786499
N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 91771547
N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 133267150
1-acetyl-N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide
CID 133265633
N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 91782322
N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 164629570
N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 91786961
1-ethyl-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 91760552
N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-oxo-1,2-oxazole-5-carboxamide
CID 133266446

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,4-dimethyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,4-dimethyl-6-oxo-1H-pyridine-3-carboxamide (CID 133267787) is N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,4-dimethyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,4-dimethyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,4-dimethyl-6-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)[nH]c(C)c1C(=O)N[C@@H]1[C@H]2CCO[C@H]2[C@H]1Cc1ccccc1.
What is the InChIKey of N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,4-dimethyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PNVXHCWMZAFUSG-WOUAJJJCSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-12-10-17(24)22-13(2)18(12)21(25)23-19-15-8-9-26-20(15)16(19)11-14-6-4-3-5-7-14/h3-7,10,15-16,19-20H,8-9,11H2,1-2H3,(H,22,24)(H,23,25)/t15-,16+,19-,20-/m1/s1.
What are the key properties of N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,4-dimethyl-6-oxo-1H-pyridine-3-carboxamide?
N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,4-dimethyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,4-dimethyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 133267787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).