1-[2-(pyridin-2-ylmethylamino)naphthalen-1-yl]naphthalen-2-ol

C26H20N2O — CID 12964585

IUPAC1-[2-(pyridin-2-ylmethylamino)naphthalen-1-yl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(NCc2ccccn2)ccc2ccccc12
InChIInChI=1S/C26H20N2O/c29-24-15-13-19-8-2-4-11-22(19)26(24)25-21-10-3-1-7-18(21)12-14-23(25)28-17-20-9-5-6-16-27-20/h1-16,28-29H,17H2
InChIKeyXDACXTHXIKYSEL-UHFFFAOYSA-N
MW376.46 g/mol
LogP6.37
Rot. Bonds4

About 1-[2-(pyridin-2-ylmethylamino)naphthalen-1-yl]naphthalen-2-ol

1-[2-(pyridin-2-ylmethylamino)naphthalen-1-yl]naphthalen-2-ol (PubChem CID 12964585) has the molecular formula C26H20N2O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[2-(pyridin-2-ylmethylamino)naphthalen-1-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-(pyridin-2-ylmethylamino)naphthalen-1-yl]naphthalen-2-ol
PubChem CID12964585
Molecular FormulaC26H20N2O
Molecular Weight376.46 g/mol
Exact Mass376.16
IUPAC Name1-[2-(pyridin-2-ylmethylamino)naphthalen-1-yl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(NCc2ccccn2)ccc2ccccc12
InChIInChI=1S/C26H20N2O/c29-24-15-13-19-8-2-4-11-22(19)26(24)25-21-10-3-1-7-18(21)12-14-23(25)28-17-20-9-5-6-16-27-20/h1-16,28-29H,17H2
InChIKeyXDACXTHXIKYSEL-UHFFFAOYSA-N
XLogP6.37
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyridin-2-ylmethylamino)naphthalen-1-yl]naphthalen-2-ol?
The IUPAC name of 1-[2-(pyridin-2-ylmethylamino)naphthalen-1-yl]naphthalen-2-ol (CID 12964585) is 1-[2-(pyridin-2-ylmethylamino)naphthalen-1-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[2-(pyridin-2-ylmethylamino)naphthalen-1-yl]naphthalen-2-ol?
The canonical SMILES for 1-[2-(pyridin-2-ylmethylamino)naphthalen-1-yl]naphthalen-2-ol is Oc1ccc2ccccc2c1-c1c(NCc2ccccn2)ccc2ccccc12.
What is the InChIKey of 1-[2-(pyridin-2-ylmethylamino)naphthalen-1-yl]naphthalen-2-ol?
The InChIKey is XDACXTHXIKYSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O/c29-24-15-13-19-8-2-4-11-22(19)26(24)25-21-10-3-1-7-18(21)12-14-23(25)28-17-20-9-5-6-16-27-20/h1-16,28-29H,17H2.
What are the key properties of 1-[2-(pyridin-2-ylmethylamino)naphthalen-1-yl]naphthalen-2-ol?
1-[2-(pyridin-2-ylmethylamino)naphthalen-1-yl]naphthalen-2-ol has a molecular weight of 376.46 g/mol, XLogP of 6.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyridin-2-ylmethylamino)naphthalen-1-yl]naphthalen-2-ol is sourced from PubChem (CID 12964585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).