2-[[cyclohexyl(methyl)amino]methyl]-5-[(4-methoxyphenyl)methyl]-6-methylpyridine-3-carbaldehyde

C23H30N2O2 — CID 167045254

IUPAC2-[[cyclohexyl(methyl)amino]methyl]-5-[(4-methoxyphenyl)methyl]-6-methylpyridine-3-carbaldehyde
SMILESCOc1ccc(Cc2cc(C=O)c(CN(C)C3CCCCC3)nc2C)cc1
InChIInChI=1S/C23H30N2O2/c1-17-19(13-18-9-11-22(27-3)12-10-18)14-20(16-26)23(24-17)15-25(2)21-7-5-4-6-8-21/h9-12,14,16,21H,4-8,13,15H2,1-3H3
InChIKeyXRUIGQJRPMYJIT-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.57
Rot. Bonds7

About 2-[[cyclohexyl(methyl)amino]methyl]-5-[(4-methoxyphenyl)methyl]-6-methylpyridine-3-carbaldehyde

2-[[cyclohexyl(methyl)amino]methyl]-5-[(4-methoxyphenyl)methyl]-6-methylpyridine-3-carbaldehyde (PubChem CID 167045254) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[[cyclohexyl(methyl)amino]methyl]-5-[(4-methoxyphenyl)methyl]-6-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[[cyclohexyl(methyl)amino]methyl]-5-[(4-methoxyphenyl)methyl]-6-methylpyridine-3-carbaldehyde
PubChem CID167045254
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-[[cyclohexyl(methyl)amino]methyl]-5-[(4-methoxyphenyl)methyl]-6-methylpyridine-3-carbaldehyde
SMILESCOc1ccc(Cc2cc(C=O)c(CN(C)C3CCCCC3)nc2C)cc1
InChIInChI=1S/C23H30N2O2/c1-17-19(13-18-9-11-22(27-3)12-10-18)14-20(16-26)23(24-17)15-25(2)21-7-5-4-6-8-21/h9-12,14,16,21H,4-8,13,15H2,1-3H3
InChIKeyXRUIGQJRPMYJIT-UHFFFAOYSA-N
XLogP4.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(methyl)amino]methyl]-5-[(4-methoxyphenyl)methyl]-6-methylpyridine-3-carbaldehyde?
The IUPAC name of 2-[[cyclohexyl(methyl)amino]methyl]-5-[(4-methoxyphenyl)methyl]-6-methylpyridine-3-carbaldehyde (CID 167045254) is 2-[[cyclohexyl(methyl)amino]methyl]-5-[(4-methoxyphenyl)methyl]-6-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-[[cyclohexyl(methyl)amino]methyl]-5-[(4-methoxyphenyl)methyl]-6-methylpyridine-3-carbaldehyde?
The canonical SMILES for 2-[[cyclohexyl(methyl)amino]methyl]-5-[(4-methoxyphenyl)methyl]-6-methylpyridine-3-carbaldehyde is COc1ccc(Cc2cc(C=O)c(CN(C)C3CCCCC3)nc2C)cc1.
What is the InChIKey of 2-[[cyclohexyl(methyl)amino]methyl]-5-[(4-methoxyphenyl)methyl]-6-methylpyridine-3-carbaldehyde?
The InChIKey is XRUIGQJRPMYJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17-19(13-18-9-11-22(27-3)12-10-18)14-20(16-26)23(24-17)15-25(2)21-7-5-4-6-8-21/h9-12,14,16,21H,4-8,13,15H2,1-3H3.
What are the key properties of 2-[[cyclohexyl(methyl)amino]methyl]-5-[(4-methoxyphenyl)methyl]-6-methylpyridine-3-carbaldehyde?
2-[[cyclohexyl(methyl)amino]methyl]-5-[(4-methoxyphenyl)methyl]-6-methylpyridine-3-carbaldehyde has a molecular weight of 366.51 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(methyl)amino]methyl]-5-[(4-methoxyphenyl)methyl]-6-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 167045254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).