1-[pyridin-3-yl(pyrrolidin-1-yl)methyl]naphthalen-2-ol

C20H20N2O — CID 123873324

IUPAC1-[pyridin-3-yl(pyrrolidin-1-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C(c1cccnc1)N1CCCC1
InChIInChI=1S/C20H20N2O/c23-18-10-9-15-6-1-2-8-17(15)19(18)20(22-12-3-4-13-22)16-7-5-11-21-14-16/h1-2,5-11,14,20,23H,3-4,12-13H2
InChIKeyCVFHHRDBDBXDFR-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.13
Rot. Bonds3

About 1-[pyridin-3-yl(pyrrolidin-1-yl)methyl]naphthalen-2-ol

1-[pyridin-3-yl(pyrrolidin-1-yl)methyl]naphthalen-2-ol (PubChem CID 123873324) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[pyridin-3-yl(pyrrolidin-1-yl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[pyridin-3-yl(pyrrolidin-1-yl)methyl]naphthalen-2-ol
PubChem CID123873324
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name1-[pyridin-3-yl(pyrrolidin-1-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C(c1cccnc1)N1CCCC1
InChIInChI=1S/C20H20N2O/c23-18-10-9-15-6-1-2-8-17(15)19(18)20(22-12-3-4-13-22)16-7-5-11-21-14-16/h1-2,5-11,14,20,23H,3-4,12-13H2
InChIKeyCVFHHRDBDBXDFR-UHFFFAOYSA-N
XLogP4.13
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

8-Hydroxyisoquinoline
CID 135441711
6-Pyridin-3-ylnaphthalen-2-ol
CID 11514074
2-Fluoro-4-[5-(pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]phenol
CID 25033811
6-[4-(Pyridin-4-ylmethyl)phenyl]naphthalen-2-ol
CID 46901929
Isoquinolin-6-ol
CID 135483582
2-Fluoro-4-[5-(pyridin-4-yl)-7,8-dihydronaphthalen-2-yl]phenol
CID 25033805
1-[[Ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol
CID 2396090
6-(1-Methyl-3-(pyridin-4-yl)-1h-pyrazol-4-yl)naphthalen-1-ol
CID 11601866
6-(1-Methyl-3-(pyridin-4-yl)-1h-pyrazol-4-yl)naphthalen-2-ol
CID 11659444
2-(3-Pyridylmethyl)-1-naphthol
CID 15617838
6-(3-Hydroxyphenyl)-1-(pyridin-3-yl)-2-naphthol
CID 24970356
2-Fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol;hydrobromide
CID 25033804

Frequently Asked Questions

What is the IUPAC name of 1-[pyridin-3-yl(pyrrolidin-1-yl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[pyridin-3-yl(pyrrolidin-1-yl)methyl]naphthalen-2-ol (CID 123873324) is 1-[pyridin-3-yl(pyrrolidin-1-yl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[pyridin-3-yl(pyrrolidin-1-yl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[pyridin-3-yl(pyrrolidin-1-yl)methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1C(c1cccnc1)N1CCCC1.
What is the InChIKey of 1-[pyridin-3-yl(pyrrolidin-1-yl)methyl]naphthalen-2-ol?
The InChIKey is CVFHHRDBDBXDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c23-18-10-9-15-6-1-2-8-17(15)19(18)20(22-12-3-4-13-22)16-7-5-11-21-14-16/h1-2,5-11,14,20,23H,3-4,12-13H2.
What are the key properties of 1-[pyridin-3-yl(pyrrolidin-1-yl)methyl]naphthalen-2-ol?
1-[pyridin-3-yl(pyrrolidin-1-yl)methyl]naphthalen-2-ol has a molecular weight of 304.39 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[pyridin-3-yl(pyrrolidin-1-yl)methyl]naphthalen-2-ol is sourced from PubChem (CID 123873324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).