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

C22H25N3O4 — CID 138571832

IUPAC6-[(1R)-2-methoxy-1-phenylethyl]-2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2[C@H]3COC[C@@H]23)cc([C@H](COC)c2ccccc2)n1
InChIInChI=1S/C22H25N3O4/c1-23-22(27)19-9-14(21(26)25-20-16-11-29-12-17(16)20)8-18(24-19)15(10-28-2)13-6-4-3-5-7-13/h3-9,15-17,20H,10-12H2,1-2H3,(H,23,27)(H,25,26)/t15-,16-,17+,20?/m1/s1
InChIKeyCFPHBZIBNCYNDD-BXVXDWSXSA-N
MW395.46 g/mol
LogP1.59
Rot. Bonds7

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

6-[(1R)-2-methoxy-1-phenylethyl]-2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide (PubChem CID 138571832) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 6-[(1R)-2-methoxy-1-phenylethyl]-2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name6-[(1R)-2-methoxy-1-phenylethyl]-2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
PubChem CID138571832
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name6-[(1R)-2-methoxy-1-phenylethyl]-2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2[C@H]3COC[C@@H]23)cc([C@H](COC)c2ccccc2)n1
InChIInChI=1S/C22H25N3O4/c1-23-22(27)19-9-14(21(26)25-20-16-11-29-12-17(16)20)8-18(24-19)15(10-28-2)13-6-4-3-5-7-13/h3-9,15-17,20H,10-12H2,1-2H3,(H,23,27)(H,25,26)/t15-,16-,17+,20?/m1/s1
InChIKeyCFPHBZIBNCYNDD-BXVXDWSXSA-N
XLogP1.59
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
6-[(R)-methoxy(phenyl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
CID 131996900
6-(2-cyano-1-phenylethyl)-2-N-methyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide
CID 131997416
2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1R)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 131997330
6-[(R)-hydroxy-(3-methylphenyl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
CID 131997410
4-N-[(1R,5S,6R)-2-[3-[(R)-methoxy-[6-(methylcarbamoyl)-4-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]-2-pyridinyl]methyl]phenyl]-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(S)-methoxy(phenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 131997367
2-N,6-dimethyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide
CID 131997114
6-[(S)-hydroxy-(2-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide;6-[(R)-hydroxy-(2-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide
CID 159668783
6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide
CID 131988817
6-[(S)-hydroxy-(3-methylphenyl)methyl]-N-methyl-4-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]pyridine-2-carboxamide
CID 160596063
4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide
CID 131997123
6-[(3-cyano-1H-indol-4-yl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
CID 131997386

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-2-methoxy-1-phenylethyl]-2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide?
The IUPAC name of 6-[(1R)-2-methoxy-1-phenylethyl]-2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide (CID 138571832) is 6-[(1R)-2-methoxy-1-phenylethyl]-2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 6-[(1R)-2-methoxy-1-phenylethyl]-2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 6-[(1R)-2-methoxy-1-phenylethyl]-2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NC2[C@H]3COC[C@@H]23)cc([C@H](COC)c2ccccc2)n1.
What is the InChIKey of 6-[(1R)-2-methoxy-1-phenylethyl]-2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide?
The InChIKey is CFPHBZIBNCYNDD-BXVXDWSXSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-23-22(27)19-9-14(21(26)25-20-16-11-29-12-17(16)20)8-18(24-19)15(10-28-2)13-6-4-3-5-7-13/h3-9,15-17,20H,10-12H2,1-2H3,(H,23,27)(H,25,26)/t15-,16-,17+,20?/m1/s1.
What are the key properties of 6-[(1R)-2-methoxy-1-phenylethyl]-2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide?
6-[(1R)-2-methoxy-1-phenylethyl]-2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide has a molecular weight of 395.46 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-2-methoxy-1-phenylethyl]-2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 138571832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).