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

C22H28FN5O3 — CID 11430320

IUPACN-[(E)-(3-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
SMILESFc1cccc(/C=N/Nc2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c1
InChIInChI=1S/C22H28FN5O3/c23-19-3-1-2-18(14-19)17-24-26-21-15-20(28-7-11-30-12-8-28)16-22(25-21)31-13-6-27-4-9-29-10-5-27/h1-3,14-17H,4-13H2,(H,25,26)/b24-17+
InChIKeyOTHGBKZGDNBOHB-JJIBRWJFSA-N
MW429.50 g/mol
LogP2.21
Rot. Bonds8

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

N-[(E)-(3-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine (PubChem CID 11430320) has the molecular formula C22H28FN5O3 and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[(E)-(3-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-(3-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
PubChem CID11430320
Molecular FormulaC22H28FN5O3
Molecular Weight429.50 g/mol
Exact Mass429.22
IUPAC NameN-[(E)-(3-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
SMILESFc1cccc(/C=N/Nc2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c1
InChIInChI=1S/C22H28FN5O3/c23-19-3-1-2-18(14-19)17-24-26-21-15-20(28-7-11-30-12-8-28)16-22(25-21)31-13-6-27-4-9-29-10-5-27/h1-3,14-17H,4-13H2,(H,25,26)/b24-17+
InChIKeyOTHGBKZGDNBOHB-JJIBRWJFSA-N
XLogP2.21
TPSA71.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.21
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 N-[(E)-(3-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine?
The IUPAC name of N-[(E)-(3-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine (CID 11430320) is N-[(E)-(3-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine.
What is the SMILES notation for N-[(E)-(3-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine?
The canonical SMILES for N-[(E)-(3-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine is Fc1cccc(/C=N/Nc2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c1.
What is the InChIKey of N-[(E)-(3-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine?
The InChIKey is OTHGBKZGDNBOHB-JJIBRWJFSA-N. The full InChI is InChI=1S/C22H28FN5O3/c23-19-3-1-2-18(14-19)17-24-26-21-15-20(28-7-11-30-12-8-28)16-22(25-21)31-13-6-27-4-9-29-10-5-27/h1-3,14-17H,4-13H2,(H,25,26)/b24-17+.
What are the key properties of N-[(E)-(3-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine?
N-[(E)-(3-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine has a molecular weight of 429.50 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine is sourced from PubChem (CID 11430320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).