(E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine

C22H24N4OS — CID 89419521

IUPAC(E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine
SMILESCO/N=C(\C)c1cccc(CCCc2cccc(-c3cccc(SC)n3)n2)n1
InChIInChI=1S/C22H24N4OS/c1-16(26-27-2)19-12-5-10-17(23-19)8-4-9-18-11-6-13-20(24-18)21-14-7-15-22(25-21)28-3/h5-7,10-15H,4,8-9H2,1-3H3/b26-16+
InChIKeyLXQHDLNVJJEYIA-WGOQTCKBSA-N
MW392.53 g/mol
LogP4.81
Rot. Bonds8

About (E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine

(E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine (PubChem CID 89419521) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is (E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine
PubChem CID89419521
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name(E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine
SMILESCO/N=C(\C)c1cccc(CCCc2cccc(-c3cccc(SC)n3)n2)n1
InChIInChI=1S/C22H24N4OS/c1-16(26-27-2)19-12-5-10-17(23-19)8-4-9-18-11-6-13-20(24-18)21-14-7-15-22(25-21)28-3/h5-7,10-15H,4,8-9H2,1-3H3/b26-16+
InChIKeyLXQHDLNVJJEYIA-WGOQTCKBSA-N
XLogP4.81
TPSA60.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-methoxy-1-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine
CID 89419496
N-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 123636438
6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine
CID 88584214
(E)-N-methoxy-1-[6-[3-methylidene-5-(6-prop-1-en-2-yl-2-pyridinyl)pentyl]-2-pyridinyl]ethanimine
CID 89419468
(E)-N-methoxy-2-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propyl]-6,7-dihydro-5H-quinolin-8-imine
CID 89419481
N-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 123248011
1-[6-[3-[1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine
CID 123612399
(E)-1-[6-[3-[(E)-1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine
CID 87171782
6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]pyridine-2-carboximidamide
CID 89419452
(E)-N-methoxy-1-[6-[3-[(E)-1-[6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)-2-pyridinyl]ethylideneamino]oxypropyl]-2-pyridinyl]ethanimine
CID 88584079
N-methoxy-2-[3-(8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl)propyl]-5-[[1-[6-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propyl]-2-pyridinyl]ethylideneamino]oxymethyl]-6,7-dihydro-5H-quinolin-8-imine
CID 123991363
(Z)-N-[3-[6-[(Z)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2-methyl-6,7-dihydro-5H-quinazolin-8-imine
CID 131741428

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine?
The IUPAC name of (E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine (CID 89419521) is (E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine.
What is the SMILES notation for (E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine?
The canonical SMILES for (E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine is CO/N=C(\C)c1cccc(CCCc2cccc(-c3cccc(SC)n3)n2)n1.
What is the InChIKey of (E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine?
The InChIKey is LXQHDLNVJJEYIA-WGOQTCKBSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-16(26-27-2)19-12-5-10-17(23-19)8-4-9-18-11-6-13-20(24-18)21-14-7-15-22(25-21)28-3/h5-7,10-15H,4,8-9H2,1-3H3/b26-16+.
What are the key properties of (E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine?
(E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine has a molecular weight of 392.53 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine is sourced from PubChem (CID 89419521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).