N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(E)-2-(5-phenyl-3-pyridinyl)ethenyl]benzamide

C27H28N2O2 — CID 156753141

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(E)-2-(5-phenyl-3-pyridinyl)ethenyl]benzamide
SMILESCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1/C=C/c1cncc(-c2ccccc2)c1
InChIInChI=1S/C27H28N2O2/c1-19-11-13-23(27(31)29-25-9-5-6-10-26(25)30)16-22(19)14-12-20-15-24(18-28-17-20)21-7-3-2-4-8-21/h2-4,7-8,11-18,25-26,30H,5-6,9-10H2,1H3,(H,29,31)/b14-12+/t25-,26-/m0/s1
InChIKeyJUSBOFZJUYWORR-NBYZJMRBSA-N
MW412.53 g/mol
LogP5.26
Rot. Bonds5

About N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(E)-2-(5-phenyl-3-pyridinyl)ethenyl]benzamide

N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(E)-2-(5-phenyl-3-pyridinyl)ethenyl]benzamide (PubChem CID 156753141) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(E)-2-(5-phenyl-3-pyridinyl)ethenyl]benzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(E)-2-(5-phenyl-3-pyridinyl)ethenyl]benzamide
PubChem CID156753141
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(E)-2-(5-phenyl-3-pyridinyl)ethenyl]benzamide
SMILESCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1/C=C/c1cncc(-c2ccccc2)c1
InChIInChI=1S/C27H28N2O2/c1-19-11-13-23(27(31)29-25-9-5-6-10-26(25)30)16-22(19)14-12-20-15-24(18-28-17-20)21-7-3-2-4-8-21/h2-4,7-8,11-18,25-26,30H,5-6,9-10H2,1H3,(H,29,31)/b14-12+/t25-,26-/m0/s1
InChIKeyJUSBOFZJUYWORR-NBYZJMRBSA-N
XLogP5.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(E)-2-(5-phenyl-3-pyridinyl)ethenyl]benzamide with MolForge

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Related Compounds

5-(3-chlorophenyl)-N-[5-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide
CID 156753087
3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
CID 62367156
3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 104956646
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide
CID 156753007
3-[(Z)-2-(5-aminopyrazin-2-yl)-2-fluoroethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 156753031
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-cyclopropyl-5-(4-phenylphenyl)pyridine-3-carboxamide
CID 42845850
N-[(1R,2R)-2-hydroxycyclohexyl]-3-(2H-tetrazol-5-yl)benzamide
CID 102739177
3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 118768379
3-[(2-chloropyrimidin-5-yl)methylamino]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 156753165
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide
CID 106753486

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(E)-2-(5-phenyl-3-pyridinyl)ethenyl]benzamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(E)-2-(5-phenyl-3-pyridinyl)ethenyl]benzamide (CID 156753141) is N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(E)-2-(5-phenyl-3-pyridinyl)ethenyl]benzamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(E)-2-(5-phenyl-3-pyridinyl)ethenyl]benzamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(E)-2-(5-phenyl-3-pyridinyl)ethenyl]benzamide is Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1/C=C/c1cncc(-c2ccccc2)c1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(E)-2-(5-phenyl-3-pyridinyl)ethenyl]benzamide?
The InChIKey is JUSBOFZJUYWORR-NBYZJMRBSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-19-11-13-23(27(31)29-25-9-5-6-10-26(25)30)16-22(19)14-12-20-15-24(18-28-17-20)21-7-3-2-4-8-21/h2-4,7-8,11-18,25-26,30H,5-6,9-10H2,1H3,(H,29,31)/b14-12+/t25-,26-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(E)-2-(5-phenyl-3-pyridinyl)ethenyl]benzamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(E)-2-(5-phenyl-3-pyridinyl)ethenyl]benzamide has a molecular weight of 412.53 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-3-[(E)-2-(5-phenyl-3-pyridinyl)ethenyl]benzamide is sourced from PubChem (CID 156753141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).