N-[(1R,6S,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-6-methylpyridine-3-carboxamide

C23H28N2O3 — CID 92558886

IUPACN-[(1R,6S,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)c2ccc(C)nc2)cc1OC
InChIInChI=1S/C23H28N2O3/c1-14-8-9-16(13-24-14)23(26)25-22-18-7-5-4-6-17(18)21(22)15-10-11-19(27-2)20(12-15)28-3/h8-13,17-18,21-22H,4-7H2,1-3H3,(H,25,26)/t17-,18+,21+,22+/m1/s1
InChIKeyHXDSWIDFZHECAD-KSCDAYEDSA-N
MW380.49 g/mol
LogP4.11
Rot. Bonds5

About N-[(1R,6S,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-6-methylpyridine-3-carboxamide

N-[(1R,6S,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-6-methylpyridine-3-carboxamide (PubChem CID 92558886) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[(1R,6S,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,6S,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-6-methylpyridine-3-carboxamide
PubChem CID92558886
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[(1R,6S,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)c2ccc(C)nc2)cc1OC
InChIInChI=1S/C23H28N2O3/c1-14-8-9-16(13-24-14)23(26)25-22-18-7-5-4-6-17(18)21(22)15-10-11-19(27-2)20(12-15)28-3/h8-13,17-18,21-22H,4-7H2,1-3H3,(H,25,26)/t17-,18+,21+,22+/m1/s1
InChIKeyHXDSWIDFZHECAD-KSCDAYEDSA-N
XLogP4.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,6S,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-6-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 47041805
N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 46955906
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide
CID 110216257
N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 5049567
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide
CID 18406774
3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide
CID 23117228
N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
CID 114301169
6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 52501616
N-(2-chloro-4,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149498
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046
3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 35232205

Frequently Asked Questions

What is the IUPAC name of N-[(1R,6S,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(1R,6S,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-6-methylpyridine-3-carboxamide (CID 92558886) is N-[(1R,6S,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,6S,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R,6S,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-6-methylpyridine-3-carboxamide is COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)c2ccc(C)nc2)cc1OC.
What is the InChIKey of N-[(1R,6S,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-6-methylpyridine-3-carboxamide?
The InChIKey is HXDSWIDFZHECAD-KSCDAYEDSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-14-8-9-16(13-24-14)23(26)25-22-18-7-5-4-6-17(18)21(22)15-10-11-19(27-2)20(12-15)28-3/h8-13,17-18,21-22H,4-7H2,1-3H3,(H,25,26)/t17-,18+,21+,22+/m1/s1.
What are the key properties of N-[(1R,6S,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-6-methylpyridine-3-carboxamide?
N-[(1R,6S,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-6-methylpyridine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,6S,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 92558886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).