3,5-difluoro-4-morpholin-4-yl-N-(naphthalen-2-ylmethylideneamino)-6-(2-pyridin-2-ylethoxy)pyridin-2-amine

C27H25F2N5O2 — CID 66682537

IUPAC3,5-difluoro-4-morpholin-4-yl-N-(naphthalen-2-ylmethylideneamino)-6-(2-pyridin-2-ylethoxy)pyridin-2-amine
SMILESFc1c(NN=Cc2ccc3ccccc3c2)nc(OCCc2ccccn2)c(F)c1N1CCOCC1
InChIInChI=1S/C27H25F2N5O2/c28-23-25(34-12-15-35-16-13-34)24(29)27(36-14-10-22-7-3-4-11-30-22)32-26(23)33-31-18-19-8-9-20-5-1-2-6-21(20)17-19/h1-9,11,17-18H,10,12-16H2,(H,32,33)
InChIKeyXUBVEBKYQJGJSP-UHFFFAOYSA-N
MW489.53 g/mol
LogP4.81
Rot. Bonds8

About 3,5-difluoro-4-morpholin-4-yl-N-(naphthalen-2-ylmethylideneamino)-6-(2-pyridin-2-ylethoxy)pyridin-2-amine

3,5-difluoro-4-morpholin-4-yl-N-(naphthalen-2-ylmethylideneamino)-6-(2-pyridin-2-ylethoxy)pyridin-2-amine (PubChem CID 66682537) has the molecular formula C27H25F2N5O2 and a molecular weight of 489.53 g/mol. Its IUPAC name is 3,5-difluoro-4-morpholin-4-yl-N-(naphthalen-2-ylmethylideneamino)-6-(2-pyridin-2-ylethoxy)pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-4-morpholin-4-yl-N-(naphthalen-2-ylmethylideneamino)-6-(2-pyridin-2-ylethoxy)pyridin-2-amine
PubChem CID66682537
Molecular FormulaC27H25F2N5O2
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC Name3,5-difluoro-4-morpholin-4-yl-N-(naphthalen-2-ylmethylideneamino)-6-(2-pyridin-2-ylethoxy)pyridin-2-amine
SMILESFc1c(NN=Cc2ccc3ccccc3c2)nc(OCCc2ccccn2)c(F)c1N1CCOCC1
InChIInChI=1S/C27H25F2N5O2/c28-23-25(34-12-15-35-16-13-34)24(29)27(36-14-10-22-7-3-4-11-30-22)32-26(23)33-31-18-19-8-9-20-5-1-2-6-21(20)17-19/h1-9,11,17-18H,10,12-16H2,(H,32,33)
InChIKeyXUBVEBKYQJGJSP-UHFFFAOYSA-N
XLogP4.81
TPSA71.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_naphth_A(5)', 'substructure': 'N/A'}, {'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 3,5-difluoro-4-morpholin-4-yl-N-(naphthalen-2-ylmethylideneamino)-6-(2-pyridin-2-ylethoxy)pyridin-2-amine?
The IUPAC name of 3,5-difluoro-4-morpholin-4-yl-N-(naphthalen-2-ylmethylideneamino)-6-(2-pyridin-2-ylethoxy)pyridin-2-amine (CID 66682537) is 3,5-difluoro-4-morpholin-4-yl-N-(naphthalen-2-ylmethylideneamino)-6-(2-pyridin-2-ylethoxy)pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-4-morpholin-4-yl-N-(naphthalen-2-ylmethylideneamino)-6-(2-pyridin-2-ylethoxy)pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-4-morpholin-4-yl-N-(naphthalen-2-ylmethylideneamino)-6-(2-pyridin-2-ylethoxy)pyridin-2-amine is Fc1c(NN=Cc2ccc3ccccc3c2)nc(OCCc2ccccn2)c(F)c1N1CCOCC1.
What is the InChIKey of 3,5-difluoro-4-morpholin-4-yl-N-(naphthalen-2-ylmethylideneamino)-6-(2-pyridin-2-ylethoxy)pyridin-2-amine?
The InChIKey is XUBVEBKYQJGJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N5O2/c28-23-25(34-12-15-35-16-13-34)24(29)27(36-14-10-22-7-3-4-11-30-22)32-26(23)33-31-18-19-8-9-20-5-1-2-6-21(20)17-19/h1-9,11,17-18H,10,12-16H2,(H,32,33).
What are the key properties of 3,5-difluoro-4-morpholin-4-yl-N-(naphthalen-2-ylmethylideneamino)-6-(2-pyridin-2-ylethoxy)pyridin-2-amine?
3,5-difluoro-4-morpholin-4-yl-N-(naphthalen-2-ylmethylideneamino)-6-(2-pyridin-2-ylethoxy)pyridin-2-amine has a molecular weight of 489.53 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-morpholin-4-yl-N-(naphthalen-2-ylmethylideneamino)-6-(2-pyridin-2-ylethoxy)pyridin-2-amine is sourced from PubChem (CID 66682537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).