5-(pyridin-3-ylmethylamino)naphthalen-1-ol

C16H14N2O — CID 43742968

IUPAC5-(pyridin-3-ylmethylamino)naphthalen-1-ol
SMILESOc1cccc2c(NCc3cccnc3)cccc12
InChIInChI=1S/C16H14N2O/c19-16-8-2-5-13-14(16)6-1-7-15(13)18-11-12-4-3-9-17-10-12/h1-10,18-19H,11H2
InChIKeyDGBUZNRTVIUZDP-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.55
Rot. Bonds3

About 5-(pyridin-3-ylmethylamino)naphthalen-1-ol

5-(pyridin-3-ylmethylamino)naphthalen-1-ol (PubChem CID 43742968) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-(pyridin-3-ylmethylamino)naphthalen-1-ol.

Molecular Properties

Compound Name5-(pyridin-3-ylmethylamino)naphthalen-1-ol
PubChem CID43742968
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name5-(pyridin-3-ylmethylamino)naphthalen-1-ol
SMILESOc1cccc2c(NCc3cccnc3)cccc12
InChIInChI=1S/C16H14N2O/c19-16-8-2-5-13-14(16)6-1-7-15(13)18-11-12-4-3-9-17-10-12/h1-10,18-19H,11H2
InChIKeyDGBUZNRTVIUZDP-UHFFFAOYSA-N
XLogP3.55
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-3-ylmethylamino)naphthalen-1-ol?
The IUPAC name of 5-(pyridin-3-ylmethylamino)naphthalen-1-ol (CID 43742968) is 5-(pyridin-3-ylmethylamino)naphthalen-1-ol.
What is the SMILES notation for 5-(pyridin-3-ylmethylamino)naphthalen-1-ol?
The canonical SMILES for 5-(pyridin-3-ylmethylamino)naphthalen-1-ol is Oc1cccc2c(NCc3cccnc3)cccc12.
What is the InChIKey of 5-(pyridin-3-ylmethylamino)naphthalen-1-ol?
The InChIKey is DGBUZNRTVIUZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16-8-2-5-13-14(16)6-1-7-15(13)18-11-12-4-3-9-17-10-12/h1-10,18-19H,11H2.
What are the key properties of 5-(pyridin-3-ylmethylamino)naphthalen-1-ol?
5-(pyridin-3-ylmethylamino)naphthalen-1-ol has a molecular weight of 250.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-3-ylmethylamino)naphthalen-1-ol is sourced from PubChem (CID 43742968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).