5-(hydroxymethyl)-2-methyl-4-[[(1S)-1-naphthalen-2-ylethyl]iminomethyl]pyridin-3-ol

C20H20N2O2 — CID 135828831

IUPAC5-(hydroxymethyl)-2-methyl-4-[[(1S)-1-naphthalen-2-ylethyl]iminomethyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/[C@@H](C)c2ccc3ccccc3c2)c1O
InChIInChI=1S/C20H20N2O2/c1-13(16-8-7-15-5-3-4-6-17(15)9-16)22-11-19-18(12-23)10-21-14(2)20(19)24/h3-11,13,23-24H,12H2,1-2H3/b22-11+/t13-/m0/s1
InChIKeyANRPMEGPZBVFCW-YSRRJJCPSA-N
MW320.39 g/mol
LogP3.92
Rot. Bonds4

About 5-(hydroxymethyl)-2-methyl-4-[[(1S)-1-naphthalen-2-ylethyl]iminomethyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[[(1S)-1-naphthalen-2-ylethyl]iminomethyl]pyridin-3-ol (PubChem CID 135828831) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[[(1S)-1-naphthalen-2-ylethyl]iminomethyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[[(1S)-1-naphthalen-2-ylethyl]iminomethyl]pyridin-3-ol
PubChem CID135828831
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[[(1S)-1-naphthalen-2-ylethyl]iminomethyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/[C@@H](C)c2ccc3ccccc3c2)c1O
InChIInChI=1S/C20H20N2O2/c1-13(16-8-7-15-5-3-4-6-17(15)9-16)22-11-19-18(12-23)10-21-14(2)20(19)24/h3-11,13,23-24H,12H2,1-2H3/b22-11+/t13-/m0/s1
InChIKeyANRPMEGPZBVFCW-YSRRJJCPSA-N
XLogP3.92
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.92
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-[[(1S)-1-naphthalen-2-ylethyl]iminomethyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[(1S)-1-naphthalen-2-ylethyl]iminomethyl]pyridin-3-ol (CID 135828831) is 5-(hydroxymethyl)-2-methyl-4-[[(1S)-1-naphthalen-2-ylethyl]iminomethyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[[(1S)-1-naphthalen-2-ylethyl]iminomethyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[[(1S)-1-naphthalen-2-ylethyl]iminomethyl]pyridin-3-ol is Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccc3ccccc3c2)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[[(1S)-1-naphthalen-2-ylethyl]iminomethyl]pyridin-3-ol?
The InChIKey is ANRPMEGPZBVFCW-YSRRJJCPSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13(16-8-7-15-5-3-4-6-17(15)9-16)22-11-19-18(12-23)10-21-14(2)20(19)24/h3-11,13,23-24H,12H2,1-2H3/b22-11+/t13-/m0/s1.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[[(1S)-1-naphthalen-2-ylethyl]iminomethyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[[(1S)-1-naphthalen-2-ylethyl]iminomethyl]pyridin-3-ol has a molecular weight of 320.39 g/mol, XLogP of 3.92, 4 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-[[(1S)-1-naphthalen-2-ylethyl]iminomethyl]pyridin-3-ol is sourced from PubChem (CID 135828831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).