N'-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]ethanimidamide

C24H25FN4O — CID 163654740

IUPACN'-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]ethanimidamide
SMILESN/C(Cc1ccc(-c2ccc(N3CCOCC3)cc2)cn1)=N\Cc1cccc(F)c1
InChIInChI=1S/C24H25FN4O/c25-21-3-1-2-18(14-21)16-28-24(26)15-22-7-4-20(17-27-22)19-5-8-23(9-6-19)29-10-12-30-13-11-29/h1-9,14,17H,10-13,15-16H2,(H2,26,28)
InChIKeyIPFKAAJEBOCTIU-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.82
Rot. Bonds6

About N'-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]ethanimidamide

N'-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]ethanimidamide (PubChem CID 163654740) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is N'-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]ethanimidamide
PubChem CID163654740
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC NameN'-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]ethanimidamide
SMILESN/C(Cc1ccc(-c2ccc(N3CCOCC3)cc2)cn1)=N\Cc1cccc(F)c1
InChIInChI=1S/C24H25FN4O/c25-21-3-1-2-18(14-21)16-28-24(26)15-22-7-4-20(17-27-22)19-5-8-23(9-6-19)29-10-12-30-13-11-29/h1-9,14,17H,10-13,15-16H2,(H2,26,28)
InChIKeyIPFKAAJEBOCTIU-UHFFFAOYSA-N
XLogP3.82
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]ethanimidamide?
The IUPAC name of N'-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]ethanimidamide (CID 163654740) is N'-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]ethanimidamide.
What is the SMILES notation for N'-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]ethanimidamide?
The canonical SMILES for N'-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]ethanimidamide is N/C(Cc1ccc(-c2ccc(N3CCOCC3)cc2)cn1)=N\Cc1cccc(F)c1.
What is the InChIKey of N'-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]ethanimidamide?
The InChIKey is IPFKAAJEBOCTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c25-21-3-1-2-18(14-21)16-28-24(26)15-22-7-4-20(17-27-22)19-5-8-23(9-6-19)29-10-12-30-13-11-29/h1-9,14,17H,10-13,15-16H2,(H2,26,28).
What are the key properties of N'-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]ethanimidamide?
N'-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]ethanimidamide has a molecular weight of 404.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]ethanimidamide is sourced from PubChem (CID 163654740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).