5-(hydroxymethyl)-2-methyl-4-[[(1R)-1-(4-phenylphenyl)ethyl]iminomethyl]pyridin-3-ol

C22H22N2O2 — CID 135828878

IUPAC5-(hydroxymethyl)-2-methyl-4-[[(1R)-1-(4-phenylphenyl)ethyl]iminomethyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/[C@H](C)c2ccc(-c3ccccc3)cc2)c1O
InChIInChI=1S/C22H22N2O2/c1-15(24-13-21-20(14-25)12-23-16(2)22(21)26)17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-13,15,25-26H,14H2,1-2H3/b24-13+/t15-/m1/s1
InChIKeyLDDCWRLHVOLELL-GMJSKMFWSA-N
MW346.43 g/mol
LogP4.44
Rot. Bonds5

About 5-(hydroxymethyl)-2-methyl-4-[[(1R)-1-(4-phenylphenyl)ethyl]iminomethyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[[(1R)-1-(4-phenylphenyl)ethyl]iminomethyl]pyridin-3-ol (PubChem CID 135828878) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[[(1R)-1-(4-phenylphenyl)ethyl]iminomethyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[[(1R)-1-(4-phenylphenyl)ethyl]iminomethyl]pyridin-3-ol
PubChem CID135828878
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[[(1R)-1-(4-phenylphenyl)ethyl]iminomethyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/[C@H](C)c2ccc(-c3ccccc3)cc2)c1O
InChIInChI=1S/C22H22N2O2/c1-15(24-13-21-20(14-25)12-23-16(2)22(21)26)17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-13,15,25-26H,14H2,1-2H3/b24-13+/t15-/m1/s1
InChIKeyLDDCWRLHVOLELL-GMJSKMFWSA-N
XLogP4.44
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[(1R)-1-(4-phenylphenyl)ethyl]iminomethyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[(1R)-1-(4-phenylphenyl)ethyl]iminomethyl]pyridin-3-ol (CID 135828878) is 5-(hydroxymethyl)-2-methyl-4-[[(1R)-1-(4-phenylphenyl)ethyl]iminomethyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[[(1R)-1-(4-phenylphenyl)ethyl]iminomethyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[[(1R)-1-(4-phenylphenyl)ethyl]iminomethyl]pyridin-3-ol is Cc1ncc(CO)c(/C=N/[C@H](C)c2ccc(-c3ccccc3)cc2)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[[(1R)-1-(4-phenylphenyl)ethyl]iminomethyl]pyridin-3-ol?
The InChIKey is LDDCWRLHVOLELL-GMJSKMFWSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15(24-13-21-20(14-25)12-23-16(2)22(21)26)17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-13,15,25-26H,14H2,1-2H3/b24-13+/t15-/m1/s1.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[[(1R)-1-(4-phenylphenyl)ethyl]iminomethyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[[(1R)-1-(4-phenylphenyl)ethyl]iminomethyl]pyridin-3-ol has a molecular weight of 346.43 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[[(1R)-1-(4-phenylphenyl)ethyl]iminomethyl]pyridin-3-ol is sourced from PubChem (CID 135828878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).