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

C19H20N2O3 — CID 164640186

IUPACN-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(N[C@@H]1[C@H]2CCO[C@H]2[C@H]1Cc1ccccc1)c1cccc(=O)[nH]1
InChIInChI=1S/C19H20N2O3/c22-16-8-4-7-15(20-16)19(23)21-17-13-9-10-24-18(13)14(17)11-12-5-2-1-3-6-12/h1-8,13-14,17-18H,9-11H2,(H,20,22)(H,21,23)/t13-,14+,17-,18-/m1/s1
InChIKeyXVXYQRUNDLOTJQ-LTCOOKNTSA-N
MW324.38 g/mol
LogP1.75
Rot. Bonds4

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

N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 164640186) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID164640186
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(N[C@@H]1[C@H]2CCO[C@H]2[C@H]1Cc1ccccc1)c1cccc(=O)[nH]1
InChIInChI=1S/C19H20N2O3/c22-16-8-4-7-15(20-16)19(23)21-17-13-9-10-24-18(13)14(17)11-12-5-2-1-3-6-12/h1-8,13-14,17-18H,9-11H2,(H,20,22)(H,21,23)/t13-,14+,17-,18-/m1/s1
InChIKeyXVXYQRUNDLOTJQ-LTCOOKNTSA-N
XLogP1.75
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

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
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-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide
CID 91775976
6-oxo-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyridine-2-carboxamide
CID 91775118
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]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 91782322
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
1-acetyl-N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide
CID 133265633
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 167986912
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]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 91786961
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

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-oxo-1H-pyridine-2-carboxamide (CID 164640186) is N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-oxo-1H-pyridine-2-carboxamide is O=C(N[C@@H]1[C@H]2CCO[C@H]2[C@H]1Cc1ccccc1)c1cccc(=O)[nH]1.
What is the InChIKey of N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is XVXYQRUNDLOTJQ-LTCOOKNTSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-16-8-4-7-15(20-16)19(23)21-17-13-9-10-24-18(13)14(17)11-12-5-2-1-3-6-12/h1-8,13-14,17-18H,9-11H2,(H,20,22)(H,21,23)/t13-,14+,17-,18-/m1/s1.
What are the key properties of N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-oxo-1H-pyridine-2-carboxamide?
N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 1.75, 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]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 164640186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).