3,5-difluoro-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-pyridin-2-ylethoxy)pyridin-2-amine

C24H25F2N5O2 — CID 59673929

IUPAC3,5-difluoro-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-pyridin-2-ylethoxy)pyridin-2-amine
SMILESCc1cccc(/C=N/Nc2nc(N3CCOCC3)c(F)c(OCCc3ccccn3)c2F)c1
InChIInChI=1S/C24H25F2N5O2/c1-17-5-4-6-18(15-17)16-28-30-23-20(25)22(33-12-8-19-7-2-3-9-27-19)21(26)24(29-23)31-10-13-32-14-11-31/h2-7,9,15-16H,8,10-14H2,1H3,(H,29,30)/b28-16+
InChIKeyMUJGWKYIYAYCNQ-LQKURTRISA-N
MW453.49 g/mol
LogP3.97
Rot. Bonds8

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

3,5-difluoro-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-pyridin-2-ylethoxy)pyridin-2-amine (PubChem CID 59673929) has the molecular formula C24H25F2N5O2 and a molecular weight of 453.49 g/mol. Its IUPAC name is 3,5-difluoro-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-pyridin-2-ylethoxy)pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-pyridin-2-ylethoxy)pyridin-2-amine
PubChem CID59673929
Molecular FormulaC24H25F2N5O2
Molecular Weight453.49 g/mol
Exact Mass453.20
IUPAC Name3,5-difluoro-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-pyridin-2-ylethoxy)pyridin-2-amine
SMILESCc1cccc(/C=N/Nc2nc(N3CCOCC3)c(F)c(OCCc3ccccn3)c2F)c1
InChIInChI=1S/C24H25F2N5O2/c1-17-5-4-6-18(15-17)16-28-30-23-20(25)22(33-12-8-19-7-2-3-9-27-19)21(26)24(29-23)31-10-13-32-14-11-31/h2-7,9,15-16H,8,10-14H2,1H3,(H,29,30)/b28-16+
InChIKeyMUJGWKYIYAYCNQ-LQKURTRISA-N
XLogP3.97
TPSA71.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 3,5-difluoro-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-pyridin-2-ylethoxy)pyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-pyridin-2-ylethoxy)pyridin-2-amine (CID 59673929) is 3,5-difluoro-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-pyridin-2-ylethoxy)pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-pyridin-2-ylethoxy)pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-pyridin-2-ylethoxy)pyridin-2-amine is Cc1cccc(/C=N/Nc2nc(N3CCOCC3)c(F)c(OCCc3ccccn3)c2F)c1.
What is the InChIKey of 3,5-difluoro-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-pyridin-2-ylethoxy)pyridin-2-amine?
The InChIKey is MUJGWKYIYAYCNQ-LQKURTRISA-N. The full InChI is InChI=1S/C24H25F2N5O2/c1-17-5-4-6-18(15-17)16-28-30-23-20(25)22(33-12-8-19-7-2-3-9-27-19)21(26)24(29-23)31-10-13-32-14-11-31/h2-7,9,15-16H,8,10-14H2,1H3,(H,29,30)/b28-16+.
What are the key properties of 3,5-difluoro-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-pyridin-2-ylethoxy)pyridin-2-amine?
3,5-difluoro-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-pyridin-2-ylethoxy)pyridin-2-amine has a molecular weight of 453.49 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-pyridin-2-ylethoxy)pyridin-2-amine is sourced from PubChem (CID 59673929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).