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

C44H48N4O10 — CID 159668783

IUPAC6-[(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
SMILESCNC(=O)c1cc(C(=O)CC2[C@H]3COC[C@@H]23)cc([C@@H](O)c2ccccc2OC)n1.CNC(=O)c1cc(C(=O)CC2[C@H]3COC[C@@H]23)cc([C@H](O)c2ccccc2OC)n1
InChIInChI=1S/2C22H24N2O5/c2*1-23-22(27)18-8-12(19(25)9-14-15-10-29-11-16(14)15)7-17(24-18)21(26)13-5-3-4-6-20(13)28-2/h2*3-8,14-16,21,26H,9-11H2,1-2H3,(H,23,27)/t2*14?,15-,16+,21-/m10/s1
InChIKeyMTTDBMXCBFHGCV-HQIIZZJCSA-N
MW792.89 g/mol
LogP3.99
Rot. Bonds14

About 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

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 (PubChem CID 159668783) has the molecular formula C44H48N4O10 and a molecular weight of 792.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(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
PubChem CID159668783
Molecular FormulaC44H48N4O10
Molecular Weight792.89 g/mol
Exact Mass792.34
IUPAC Name6-[(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
SMILESCNC(=O)c1cc(C(=O)CC2[C@H]3COC[C@@H]23)cc([C@@H](O)c2ccccc2OC)n1.CNC(=O)c1cc(C(=O)CC2[C@H]3COC[C@@H]23)cc([C@H](O)c2ccccc2OC)n1
InChIInChI=1S/2C22H24N2O5/c2*1-23-22(27)18-8-12(19(25)9-14-15-10-29-11-16(14)15)7-17(24-18)21(26)13-5-3-4-6-20(13)28-2/h2*3-8,14-16,21,26H,9-11H2,1-2H3,(H,23,27)/t2*14?,15-,16+,21-/m10/s1
InChIKeyMTTDBMXCBFHGCV-HQIIZZJCSA-N
XLogP3.99
TPSA195.50 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.89
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 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 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-[(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
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
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
4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 139295953
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(phenyl)methyl]-N-methyl-4-[4-(1-methylpyrazol-4-yl)butanoyl]pyridine-2-carboxamide
CID 159754646
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
N-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-4-yl)acetyl]pyridine-2-carboxamide
CID 157281845
6-[(3-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]pyridine-2-carboxamide
CID 162084469
6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide
CID 131988817
tert-butyl 2-[1-(2-methoxyphenyl)ethenyl]-6-(methylcarbamoyl)pyridine-4-carboxylate
CID 131997127

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)c1cc(C(=O)CC2[C@H]3COC[C@@H]23)cc([C@@H](O)c2ccccc2OC)n1.CNC(=O)c1cc(C(=O)CC2[C@H]3COC[C@@H]23)cc([C@H](O)c2ccccc2OC)n1.
What is the InChIKey of 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?
The InChIKey is MTTDBMXCBFHGCV-HQIIZZJCSA-N. The full InChI is InChI=1S/2C22H24N2O5/c2*1-23-22(27)18-8-12(19(25)9-14-15-10-29-11-16(14)15)7-17(24-18)21(26)13-5-3-4-6-20(13)28-2/h2*3-8,14-16,21,26H,9-11H2,1-2H3,(H,23,27)/t2*14?,15-,16+,21-/m10/s1.
What are the key properties of 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?
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 has a molecular weight of 792.89 g/mol, XLogP of 3.99, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159668783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).