5-(benzhydrylideneamino)-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine

C26H24N4O — CID 86610310

IUPAC5-(benzhydrylideneamino)-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine
SMILESCCOc1cc(N=C(c2ccccc2)c2ccccc2)cnc1Nc1cccc(C)n1
InChIInChI=1S/C26H24N4O/c1-3-31-23-17-22(18-27-26(23)30-24-16-10-11-19(2)28-24)29-25(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-18H,3H2,1-2H3,(H,27,28,30)
InChIKeyPRNOEYOFOHCHPP-UHFFFAOYSA-N
MW408.51 g/mol
LogP6.10
Rot. Bonds7

About 5-(benzhydrylideneamino)-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine

5-(benzhydrylideneamino)-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine (PubChem CID 86610310) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is 5-(benzhydrylideneamino)-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(benzhydrylideneamino)-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine
PubChem CID86610310
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name5-(benzhydrylideneamino)-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine
SMILESCCOc1cc(N=C(c2ccccc2)c2ccccc2)cnc1Nc1cccc(C)n1
InChIInChI=1S/C26H24N4O/c1-3-31-23-17-22(18-27-26(23)30-24-16-10-11-19(2)28-24)29-25(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-18H,3H2,1-2H3,(H,27,28,30)
InChIKeyPRNOEYOFOHCHPP-UHFFFAOYSA-N
XLogP6.10
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(benzhydrylideneamino)-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 5-(benzhydrylideneamino)-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine (CID 86610310) is 5-(benzhydrylideneamino)-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 5-(benzhydrylideneamino)-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 5-(benzhydrylideneamino)-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine is CCOc1cc(N=C(c2ccccc2)c2ccccc2)cnc1Nc1cccc(C)n1.
What is the InChIKey of 5-(benzhydrylideneamino)-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine?
The InChIKey is PRNOEYOFOHCHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c1-3-31-23-17-22(18-27-26(23)30-24-16-10-11-19(2)28-24)29-25(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-18H,3H2,1-2H3,(H,27,28,30).
What are the key properties of 5-(benzhydrylideneamino)-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine?
5-(benzhydrylideneamino)-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine has a molecular weight of 408.51 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzhydrylideneamino)-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 86610310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).