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

C23H30FN5O3 — CID 11189964

IUPAC5-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)c(F)c(OCCN3CCOCC3)n2)c1
InChIInChI=1S/C23H30FN5O3/c1-18-3-2-4-19(15-18)17-25-27-21-16-20(29-8-12-31-13-9-29)22(24)23(26-21)32-14-7-28-5-10-30-11-6-28/h2-4,15-17H,5-14H2,1H3,(H,26,27)/b25-17+
InChIKeyZNGNFCDNYABSHD-KOEQRZSOSA-N
MW443.52 g/mol
LogP2.52
Rot. Bonds8

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

5-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine (PubChem CID 11189964) has the molecular formula C23H30FN5O3 and a molecular weight of 443.52 g/mol. Its IUPAC name is 5-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
PubChem CID11189964
Molecular FormulaC23H30FN5O3
Molecular Weight443.52 g/mol
Exact Mass443.23
IUPAC Name5-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)c(F)c(OCCN3CCOCC3)n2)c1
InChIInChI=1S/C23H30FN5O3/c1-18-3-2-4-19(15-18)17-25-27-21-16-20(29-8-12-31-13-9-29)22(24)23(26-21)32-14-7-28-5-10-30-11-6-28/h2-4,15-17H,5-14H2,1H3,(H,26,27)/b25-17+
InChIKeyZNGNFCDNYABSHD-KOEQRZSOSA-N
XLogP2.52
TPSA71.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 5-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine?
The IUPAC name of 5-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine (CID 11189964) is 5-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine is Cc1cccc(/C=N/Nc2cc(N3CCOCC3)c(F)c(OCCN3CCOCC3)n2)c1.
What is the InChIKey of 5-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine?
The InChIKey is ZNGNFCDNYABSHD-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H30FN5O3/c1-18-3-2-4-19(15-18)17-25-27-21-16-20(29-8-12-31-13-9-29)22(24)23(26-21)32-14-7-28-5-10-30-11-6-28/h2-4,15-17H,5-14H2,1H3,(H,26,27)/b25-17+.
What are the key properties of 5-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine?
5-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine has a molecular weight of 443.52 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine is sourced from PubChem (CID 11189964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).