(Z)-N-[3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine

C23H22N4O2 — CID 131740891

IUPAC(Z)-N-[3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine
SMILESCOc1cc(C)nc(-c2cccc(C#CCO/N=C(/C)c3cccc(C)n3)n2)c1
InChIInChI=1S/C23H22N4O2/c1-16-8-5-11-21(24-16)18(3)27-29-13-7-10-19-9-6-12-22(26-19)23-15-20(28-4)14-17(2)25-23/h5-6,8-9,11-12,14-15H,13H2,1-4H3/b27-18-
InChIKeyJCMAGOVTIBCWHI-IMRQLAEWSA-N
MW386.46 g/mol
LogP3.96
Rot. Bonds5

About (Z)-N-[3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine

(Z)-N-[3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine (PubChem CID 131740891) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is (Z)-N-[3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine.

Molecular Properties

Compound Name(Z)-N-[3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine
PubChem CID131740891
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name(Z)-N-[3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine
SMILESCOc1cc(C)nc(-c2cccc(C#CCO/N=C(/C)c3cccc(C)n3)n2)c1
InChIInChI=1S/C23H22N4O2/c1-16-8-5-11-21(24-16)18(3)27-29-13-7-10-19-9-6-12-22(26-19)23-15-20(28-4)14-17(2)25-23/h5-6,8-9,11-12,14-15H,13H2,1-4H3/b27-18-
InChIKeyJCMAGOVTIBCWHI-IMRQLAEWSA-N
XLogP3.96
TPSA69.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-N-[3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine with MolForge

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Launch Full Analysis

Related Compounds

1-[6-[3-[(Z)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxyprop-1-ynyl]-2-pyridinyl]ethanone
CID 131741413
(Z)-N-[3-(6-bromo-2-pyridinyl)prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 131740882
3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-yn-1-ol
CID 69094333
6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxyprop-1-ynyl]pyridine-2-carbonitrile;(E)-1-(6-methyl-2-pyridinyl)-N-prop-2-ynoxyethanimine
CID 172953958
(E)-N-[3-(6-bromo-2-pyridinyl)propoxy]-1-(6-methyl-2-pyridinyl)ethanimine;(E)-N-[3-(6-bromo-2-pyridinyl)prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 172938985
4-methoxy-2-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]-6-methylpyridine
CID 132581793
N-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 123248011
(E)-N-methoxy-1-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine
CID 89419496
2-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-6-methylpyridine
CID 11322699
2-[3-(4-chloro-3,5-dimethylphenoxy)prop-1-ynyl]-6-methylpyridine
CID 11219884
N-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 123636438
N-methoxy-1-[6-[4-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxybut-1-en-2-yl]-2-pyridinyl]ethanimine
CID 123316303

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
The IUPAC name of (Z)-N-[3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine (CID 131740891) is (Z)-N-[3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine.
What is the SMILES notation for (Z)-N-[3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
The canonical SMILES for (Z)-N-[3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine is COc1cc(C)nc(-c2cccc(C#CCO/N=C(/C)c3cccc(C)n3)n2)c1.
What is the InChIKey of (Z)-N-[3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
The InChIKey is JCMAGOVTIBCWHI-IMRQLAEWSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-16-8-5-11-21(24-16)18(3)27-29-13-7-10-19-9-6-12-22(26-19)23-15-20(28-4)14-17(2)25-23/h5-6,8-9,11-12,14-15H,13H2,1-4H3/b27-18-.
What are the key properties of (Z)-N-[3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
(Z)-N-[3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine has a molecular weight of 386.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine is sourced from PubChem (CID 131740891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).