6-[(1S)-2-methoxy-1-phenylethyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide

C23H26N2O4 — CID 159924854

IUPAC6-[(1S)-2-methoxy-1-phenylethyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2[C@H]3COC[C@@H]23)cc([C@@H](COC)c2ccccc2)n1
InChIInChI=1S/C23H26N2O4/c1-24-23(27)21-9-15(22(26)10-16-18-12-29-13-19(16)18)8-20(25-21)17(11-28-2)14-6-4-3-5-7-14/h3-9,16-19H,10-13H2,1-2H3,(H,24,27)/t16?,17-,18-,19+/m0/s1
InChIKeyQCHJOZHDKNAJKL-HRVKUGKESA-N
MW394.47 g/mol
LogP2.68
Rot. Bonds8

About 6-[(1S)-2-methoxy-1-phenylethyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide

6-[(1S)-2-methoxy-1-phenylethyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide (PubChem CID 159924854) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 6-[(1S)-2-methoxy-1-phenylethyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(1S)-2-methoxy-1-phenylethyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide
PubChem CID159924854
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name6-[(1S)-2-methoxy-1-phenylethyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2[C@H]3COC[C@@H]23)cc([C@@H](COC)c2ccccc2)n1
InChIInChI=1S/C23H26N2O4/c1-24-23(27)21-9-15(22(26)10-16-18-12-29-13-19(16)18)8-20(25-21)17(11-28-2)14-6-4-3-5-7-14/h3-9,16-19H,10-13H2,1-2H3,(H,24,27)/t16?,17-,18-,19+/m0/s1
InChIKeyQCHJOZHDKNAJKL-HRVKUGKESA-N
XLogP2.68
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(1S)-2-methoxy-1-phenylethyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-2-methoxy-1-phenylethyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide?
The IUPAC name of 6-[(1S)-2-methoxy-1-phenylethyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide (CID 159924854) is 6-[(1S)-2-methoxy-1-phenylethyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(1S)-2-methoxy-1-phenylethyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[(1S)-2-methoxy-1-phenylethyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide is CNC(=O)c1cc(C(=O)CC2[C@H]3COC[C@@H]23)cc([C@@H](COC)c2ccccc2)n1.
What is the InChIKey of 6-[(1S)-2-methoxy-1-phenylethyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide?
The InChIKey is QCHJOZHDKNAJKL-HRVKUGKESA-N. The full InChI is InChI=1S/C23H26N2O4/c1-24-23(27)21-9-15(22(26)10-16-18-12-29-13-19(16)18)8-20(25-21)17(11-28-2)14-6-4-3-5-7-14/h3-9,16-19H,10-13H2,1-2H3,(H,24,27)/t16?,17-,18-,19+/m0/s1.
What are the key properties of 6-[(1S)-2-methoxy-1-phenylethyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide?
6-[(1S)-2-methoxy-1-phenylethyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-2-methoxy-1-phenylethyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide is sourced from PubChem (CID 159924854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).