N-methoxy-1-[6-[4-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxybut-1-en-2-yl]-2-pyridinyl]ethanimine

C20H24N4O2 — CID 123316303

IUPACN-methoxy-1-[6-[4-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxybut-1-en-2-yl]-2-pyridinyl]ethanimine
SMILESC=C(CCON=C(C)c1cccc(C)n1)c1cccc(C(C)=NOC)n1
InChIInChI=1S/C20H24N4O2/c1-14(18-9-7-11-20(22-18)16(3)23-25-5)12-13-26-24-17(4)19-10-6-8-15(2)21-19/h6-11H,1,12-13H2,2-5H3
InChIKeyAAIJPNCYFCZHAP-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.00
Rot. Bonds8

About N-methoxy-1-[6-[4-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxybut-1-en-2-yl]-2-pyridinyl]ethanimine

N-methoxy-1-[6-[4-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxybut-1-en-2-yl]-2-pyridinyl]ethanimine (PubChem CID 123316303) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-methoxy-1-[6-[4-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxybut-1-en-2-yl]-2-pyridinyl]ethanimine.

Molecular Properties

Compound NameN-methoxy-1-[6-[4-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxybut-1-en-2-yl]-2-pyridinyl]ethanimine
PubChem CID123316303
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-methoxy-1-[6-[4-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxybut-1-en-2-yl]-2-pyridinyl]ethanimine
SMILESC=C(CCON=C(C)c1cccc(C)n1)c1cccc(C(C)=NOC)n1
InChIInChI=1S/C20H24N4O2/c1-14(18-9-7-11-20(22-18)16(3)23-25-5)12-13-26-24-17(4)19-10-6-8-15(2)21-19/h6-11H,1,12-13H2,2-5H3
InChIKeyAAIJPNCYFCZHAP-UHFFFAOYSA-N
XLogP4.00
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.00
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'}

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Related Compounds

N-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 123636438
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
6-[3-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridin-2-amine
CID 123349027
(E)-N-methoxy-1-[6-[3-methylidene-5-(6-prop-1-en-2-yl-2-pyridinyl)pentyl]-2-pyridinyl]ethanimine
CID 89419468
1-[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]-3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropan-1-one
CID 87170943
3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropanal;3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropan-1-ol
CID 172961316
2-[6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]-2-pyridinyl]acetaldehyde
CID 87170194
6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carbaldehyde
CID 87170147
6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine
CID 88584214
(E)-1-(6-methyl-2-pyridinyl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethanimine
CID 50989515
bis(chloromethyl)-dimethylsilane;(E)-N-[[dimethyl-[[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxymethyl]silyl]methoxy]-1-(6-methyl-2-pyridinyl)ethanimine;(NE)-N-[1-(6-methyl-2-pyridinyl)ethylidene]hydroxylamine
CID 172966086

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[6-[4-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxybut-1-en-2-yl]-2-pyridinyl]ethanimine?
The IUPAC name of N-methoxy-1-[6-[4-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxybut-1-en-2-yl]-2-pyridinyl]ethanimine (CID 123316303) is N-methoxy-1-[6-[4-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxybut-1-en-2-yl]-2-pyridinyl]ethanimine.
What is the SMILES notation for N-methoxy-1-[6-[4-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxybut-1-en-2-yl]-2-pyridinyl]ethanimine?
The canonical SMILES for N-methoxy-1-[6-[4-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxybut-1-en-2-yl]-2-pyridinyl]ethanimine is C=C(CCON=C(C)c1cccc(C)n1)c1cccc(C(C)=NOC)n1.
What is the InChIKey of N-methoxy-1-[6-[4-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxybut-1-en-2-yl]-2-pyridinyl]ethanimine?
The InChIKey is AAIJPNCYFCZHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14(18-9-7-11-20(22-18)16(3)23-25-5)12-13-26-24-17(4)19-10-6-8-15(2)21-19/h6-11H,1,12-13H2,2-5H3.
What are the key properties of N-methoxy-1-[6-[4-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxybut-1-en-2-yl]-2-pyridinyl]ethanimine?
N-methoxy-1-[6-[4-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxybut-1-en-2-yl]-2-pyridinyl]ethanimine has a molecular weight of 352.44 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[6-[4-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxybut-1-en-2-yl]-2-pyridinyl]ethanimine is sourced from PubChem (CID 123316303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).