N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine

C25H25N7O2 — CID 11178549

IUPACN-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine
SMILESC(=N/Nc1ccc2ccccc2c1)\c1nc(OCCc2ccccn2)nc(N2CCOCC2)n1
InChIInChI=1S/C25H25N7O2/c1-2-6-20-17-22(9-8-19(20)5-1)31-27-18-23-28-24(32-12-15-33-16-13-32)30-25(29-23)34-14-10-21-7-3-4-11-26-21/h1-9,11,17-18,31H,10,12-16H2/b27-18+
InChIKeyDJXQJGVBLDVQAJ-OVVQPSECSA-N
MW455.52 g/mol
LogP3.32
Rot. Bonds8

About N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine

N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine (PubChem CID 11178549) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine.

Molecular Properties

Compound NameN-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine
PubChem CID11178549
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC NameN-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine
SMILESC(=N/Nc1ccc2ccccc2c1)\c1nc(OCCc2ccccn2)nc(N2CCOCC2)n1
InChIInChI=1S/C25H25N7O2/c1-2-6-20-17-22(9-8-19(20)5-1)31-27-18-23-28-24(32-12-15-33-16-13-32)30-25(29-23)34-14-10-21-7-3-4-11-26-21/h1-9,11,17-18,31H,10,12-16H2/b27-18+
InChIKeyDJXQJGVBLDVQAJ-OVVQPSECSA-N
XLogP3.32
TPSA97.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine?
The IUPAC name of N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine (CID 11178549) is N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine.
What is the SMILES notation for N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine?
The canonical SMILES for N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine is C(=N/Nc1ccc2ccccc2c1)\c1nc(OCCc2ccccn2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine?
The InChIKey is DJXQJGVBLDVQAJ-OVVQPSECSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-2-6-20-17-22(9-8-19(20)5-1)31-27-18-23-28-24(32-12-15-33-16-13-32)30-25(29-23)34-14-10-21-7-3-4-11-26-21/h1-9,11,17-18,31H,10,12-16H2/b27-18+.
What are the key properties of N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine?
N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine has a molecular weight of 455.52 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine is sourced from PubChem (CID 11178549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).