1-[[(4-methyl-2-pyridinyl)amino]methyl]naphthalen-2-ol

C17H16N2O — CID 890718

IUPAC1-[[(4-methyl-2-pyridinyl)amino]methyl]naphthalen-2-ol
SMILESCc1ccnc(NCc2c(O)ccc3ccccc23)c1
InChIInChI=1S/C17H16N2O/c1-12-8-9-18-17(10-12)19-11-15-14-5-3-2-4-13(14)6-7-16(15)20/h2-10,20H,11H2,1H3,(H,18,19)
InChIKeyBIBREOZCSNFKLF-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.86
Rot. Bonds3

About 1-[[(4-methyl-2-pyridinyl)amino]methyl]naphthalen-2-ol

1-[[(4-methyl-2-pyridinyl)amino]methyl]naphthalen-2-ol (PubChem CID 890718) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[[(4-methyl-2-pyridinyl)amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(4-methyl-2-pyridinyl)amino]methyl]naphthalen-2-ol
PubChem CID890718
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-[[(4-methyl-2-pyridinyl)amino]methyl]naphthalen-2-ol
SMILESCc1ccnc(NCc2c(O)ccc3ccccc23)c1
InChIInChI=1S/C17H16N2O/c1-12-8-9-18-17(10-12)19-11-15-14-5-3-2-4-13(14)6-7-16(15)20/h2-10,20H,11H2,1H3,(H,18,19)
InChIKeyBIBREOZCSNFKLF-UHFFFAOYSA-N
XLogP3.86
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.86
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-[[(4-methyl-2-pyridinyl)amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(4-methyl-2-pyridinyl)amino]methyl]naphthalen-2-ol (CID 890718) is 1-[[(4-methyl-2-pyridinyl)amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(4-methyl-2-pyridinyl)amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(4-methyl-2-pyridinyl)amino]methyl]naphthalen-2-ol is Cc1ccnc(NCc2c(O)ccc3ccccc23)c1.
What is the InChIKey of 1-[[(4-methyl-2-pyridinyl)amino]methyl]naphthalen-2-ol?
The InChIKey is BIBREOZCSNFKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-8-9-18-17(10-12)19-11-15-14-5-3-2-4-13(14)6-7-16(15)20/h2-10,20H,11H2,1H3,(H,18,19).
What are the key properties of 1-[[(4-methyl-2-pyridinyl)amino]methyl]naphthalen-2-ol?
1-[[(4-methyl-2-pyridinyl)amino]methyl]naphthalen-2-ol has a molecular weight of 264.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-methyl-2-pyridinyl)amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 890718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).