1-N-(6-methoxy-2-pyridinyl)naphthalene-1,8-diamine

C16H15N3O — CID 153135357

IUPAC1-N-(6-methoxy-2-pyridinyl)naphthalene-1,8-diamine
SMILESCOc1cccc(Nc2cccc3cccc(N)c23)n1
InChIInChI=1S/C16H15N3O/c1-20-15-10-4-9-14(19-15)18-13-8-3-6-11-5-2-7-12(17)16(11)13/h2-10H,17H2,1H3,(H,18,19)
InChIKeyVXOFSLBORPMLML-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.57
Rot. Bonds3

About 1-N-(6-methoxy-2-pyridinyl)naphthalene-1,8-diamine

1-N-(6-methoxy-2-pyridinyl)naphthalene-1,8-diamine (PubChem CID 153135357) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-N-(6-methoxy-2-pyridinyl)naphthalene-1,8-diamine.

Molecular Properties

Compound Name1-N-(6-methoxy-2-pyridinyl)naphthalene-1,8-diamine
PubChem CID153135357
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-N-(6-methoxy-2-pyridinyl)naphthalene-1,8-diamine
SMILESCOc1cccc(Nc2cccc3cccc(N)c23)n1
InChIInChI=1S/C16H15N3O/c1-20-15-10-4-9-14(19-15)18-13-8-3-6-11-5-2-7-12(17)16(11)13/h2-10H,17H2,1H3,(H,18,19)
InChIKeyVXOFSLBORPMLML-UHFFFAOYSA-N
XLogP3.57
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(6-methoxy-2-pyridinyl)naphthalene-1,8-diamine?
The IUPAC name of 1-N-(6-methoxy-2-pyridinyl)naphthalene-1,8-diamine (CID 153135357) is 1-N-(6-methoxy-2-pyridinyl)naphthalene-1,8-diamine.
What is the SMILES notation for 1-N-(6-methoxy-2-pyridinyl)naphthalene-1,8-diamine?
The canonical SMILES for 1-N-(6-methoxy-2-pyridinyl)naphthalene-1,8-diamine is COc1cccc(Nc2cccc3cccc(N)c23)n1.
What is the InChIKey of 1-N-(6-methoxy-2-pyridinyl)naphthalene-1,8-diamine?
The InChIKey is VXOFSLBORPMLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-15-10-4-9-14(19-15)18-13-8-3-6-11-5-2-7-12(17)16(11)13/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of 1-N-(6-methoxy-2-pyridinyl)naphthalene-1,8-diamine?
1-N-(6-methoxy-2-pyridinyl)naphthalene-1,8-diamine has a molecular weight of 265.32 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-methoxy-2-pyridinyl)naphthalene-1,8-diamine is sourced from PubChem (CID 153135357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).