1-[(pyridin-2-ylamino)methyl]naphthalen-2-ol

C16H14N2O — CID 759948

IUPAC1-[(pyridin-2-ylamino)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CNc1ccccn1
InChIInChI=1S/C16H14N2O/c19-15-9-8-12-5-1-2-6-13(12)14(15)11-18-16-7-3-4-10-17-16/h1-10,19H,11H2,(H,17,18)
InChIKeyBTNMASYOYBGEOO-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.55
Rot. Bonds3

About 1-[(pyridin-2-ylamino)methyl]naphthalen-2-ol

1-[(pyridin-2-ylamino)methyl]naphthalen-2-ol (PubChem CID 759948) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[(pyridin-2-ylamino)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(pyridin-2-ylamino)methyl]naphthalen-2-ol
PubChem CID759948
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-[(pyridin-2-ylamino)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CNc1ccccn1
InChIInChI=1S/C16H14N2O/c19-15-9-8-12-5-1-2-6-13(12)14(15)11-18-16-7-3-4-10-17-16/h1-10,19H,11H2,(H,17,18)
InChIKeyBTNMASYOYBGEOO-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(pyridin-2-ylamino)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(pyridin-2-ylamino)methyl]naphthalen-2-ol (CID 759948) is 1-[(pyridin-2-ylamino)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(pyridin-2-ylamino)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(pyridin-2-ylamino)methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1CNc1ccccn1.
What is the InChIKey of 1-[(pyridin-2-ylamino)methyl]naphthalen-2-ol?
The InChIKey is BTNMASYOYBGEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-15-9-8-12-5-1-2-6-13(12)14(15)11-18-16-7-3-4-10-17-16/h1-10,19H,11H2,(H,17,18).
What are the key properties of 1-[(pyridin-2-ylamino)methyl]naphthalen-2-ol?
1-[(pyridin-2-ylamino)methyl]naphthalen-2-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 1-[(pyridin-2-ylamino)methyl]naphthalen-2-ol is sourced from PubChem (CID 759948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).