6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carbaldehyde

C17H14N2O2 — CID 145351787

IUPAC6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carbaldehyde
SMILESCNc1cc(Oc2ccc3c(C=O)cccc3c2)ccn1
InChIInChI=1S/C17H14N2O2/c1-18-17-10-15(7-8-19-17)21-14-5-6-16-12(9-14)3-2-4-13(16)11-20/h2-11H,1H3,(H,18,19)
InChIKeyCSEUSDQHQVFVMO-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.88
Rot. Bonds4

About 6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carbaldehyde

6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carbaldehyde (PubChem CID 145351787) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carbaldehyde
PubChem CID145351787
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carbaldehyde
SMILESCNc1cc(Oc2ccc3c(C=O)cccc3c2)ccn1
InChIInChI=1S/C17H14N2O2/c1-18-17-10-15(7-8-19-17)21-14-5-6-16-12(9-14)3-2-4-13(16)11-20/h2-11H,1H3,(H,18,19)
InChIKeyCSEUSDQHQVFVMO-UHFFFAOYSA-N
XLogP3.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carbaldehyde?
The IUPAC name of 6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carbaldehyde (CID 145351787) is 6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carbaldehyde.
What is the SMILES notation for 6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carbaldehyde?
The canonical SMILES for 6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carbaldehyde is CNc1cc(Oc2ccc3c(C=O)cccc3c2)ccn1.
What is the InChIKey of 6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carbaldehyde?
The InChIKey is CSEUSDQHQVFVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-18-17-10-15(7-8-19-17)21-14-5-6-16-12(9-14)3-2-4-13(16)11-20/h2-11H,1H3,(H,18,19).
What are the key properties of 6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carbaldehyde?
6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carbaldehyde has a molecular weight of 278.31 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carbaldehyde is sourced from PubChem (CID 145351787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).