N-[(7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-methylpyridine-3-carboxamide

C22H26N2O2 — CID 110216229

IUPACN-[(7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-methylpyridine-3-carboxamide
SMILESCOc1ccc([C@H]2C3CCCCC3[C@@H]2NC(=O)c2cccnc2C)cc1
InChIInChI=1S/C22H26N2O2/c1-14-17(8-5-13-23-14)22(25)24-21-19-7-4-3-6-18(19)20(21)15-9-11-16(26-2)12-10-15/h5,8-13,18-21H,3-4,6-7H2,1-2H3,(H,24,25)/t18?,19?,20-,21-/m0/s1
InChIKeyNANNOSCGQZJIFP-JSRAGOMMSA-N
MW350.46 g/mol
LogP4.10
Rot. Bonds4

About N-[(7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-methylpyridine-3-carboxamide

N-[(7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-methylpyridine-3-carboxamide (PubChem CID 110216229) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-methylpyridine-3-carboxamide
PubChem CID110216229
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[(7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-methylpyridine-3-carboxamide
SMILESCOc1ccc([C@H]2C3CCCCC3[C@@H]2NC(=O)c2cccnc2C)cc1
InChIInChI=1S/C22H26N2O2/c1-14-17(8-5-13-23-14)22(25)24-21-19-7-4-3-6-18(19)20(21)15-9-11-16(26-2)12-10-15/h5,8-13,18-21H,3-4,6-7H2,1-2H3,(H,24,25)/t18?,19?,20-,21-/m0/s1
InChIKeyNANNOSCGQZJIFP-JSRAGOMMSA-N
XLogP4.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-methylpyridine-3-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 78951017
N-[(1S,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-pyridin-3-ylpropanamide
CID 92596571
N-[(1R,6S,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-pyridin-3-ylpropanamide
CID 92596568
2,4-dimethyl-N-[(1S,6S,7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1,3-thiazole-5-carboxamide
CID 92597793
(7S,8R)-8-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]bicyclo[4.2.0]octan-7-amine
CID 110216273
N-[(1R,6S,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
CID 92555926
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpyridine-3-carboxamide
CID 15293871
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 111109292
(2S)-N-[(1R,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide
CID 125037348
N-methoxy-2-methylpyridine-3-carboxamide
CID 78950808
N-[(1R,6S,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 92596564
N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide
CID 97333744

Frequently Asked Questions

What is the IUPAC name of N-[(7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[(7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-methylpyridine-3-carboxamide (CID 110216229) is N-[(7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-methylpyridine-3-carboxamide is COc1ccc([C@H]2C3CCCCC3[C@@H]2NC(=O)c2cccnc2C)cc1.
What is the InChIKey of N-[(7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-methylpyridine-3-carboxamide?
The InChIKey is NANNOSCGQZJIFP-JSRAGOMMSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-14-17(8-5-13-23-14)22(25)24-21-19-7-4-3-6-18(19)20(21)15-9-11-16(26-2)12-10-15/h5,8-13,18-21H,3-4,6-7H2,1-2H3,(H,24,25)/t18?,19?,20-,21-/m0/s1.
What are the key properties of N-[(7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-methylpyridine-3-carboxamide?
N-[(7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-methylpyridine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 110216229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).