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

C16H14BrN3O — CID 131740882

IUPAC(Z)-N-[3-(6-bromo-2-pyridinyl)prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine
SMILESC/C(=N/OCC#Cc1cccc(Br)n1)c1cccc(C)n1
InChIInChI=1S/C16H14BrN3O/c1-12-6-3-9-15(18-12)13(2)20-21-11-5-8-14-7-4-10-16(17)19-14/h3-4,6-7,9-10H,11H2,1-2H3/b20-13-
InChIKeyOYOMYVGIKGUUOF-MOSHPQCFSA-N
MW344.21 g/mol
LogP3.34
Rot. Bonds3

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

(Z)-N-[3-(6-bromo-2-pyridinyl)prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine (PubChem CID 131740882) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is (Z)-N-[3-(6-bromo-2-pyridinyl)prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine.

Molecular Properties

Compound Name(Z)-N-[3-(6-bromo-2-pyridinyl)prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine
PubChem CID131740882
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name(Z)-N-[3-(6-bromo-2-pyridinyl)prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine
SMILESC/C(=N/OCC#Cc1cccc(Br)n1)c1cccc(C)n1
InChIInChI=1S/C16H14BrN3O/c1-12-6-3-9-15(18-12)13(2)20-21-11-5-8-14-7-4-10-16(17)19-14/h3-4,6-7,9-10H,11H2,1-2H3/b20-13-
InChIKeyOYOMYVGIKGUUOF-MOSHPQCFSA-N
XLogP3.34
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-bromo-2-pyridinyl)prop-2-ynoxy]-1-(6-methyl-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-[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
1-[6-[3-[(Z)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxyprop-1-ynyl]-2-pyridinyl]ethanone
CID 131741413
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
(Z)-N-[3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 131740891
1-(6-bromo-2-pyridinyl)-N-(2-methylidenebutoxy)ethanimine
CID 76696791
(E)-1-(6-methyl-2-pyridinyl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethanimine
CID 50989515
2-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-6-methylpyridine
CID 11322699
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
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
6-[3-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridin-2-amine
CID 123349027
3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropanal;3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropan-1-ol
CID 172961316

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-(6-bromo-2-pyridinyl)prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
The IUPAC name of (Z)-N-[3-(6-bromo-2-pyridinyl)prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine (CID 131740882) is (Z)-N-[3-(6-bromo-2-pyridinyl)prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine.
What is the SMILES notation for (Z)-N-[3-(6-bromo-2-pyridinyl)prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
The canonical SMILES for (Z)-N-[3-(6-bromo-2-pyridinyl)prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine is C/C(=N/OCC#Cc1cccc(Br)n1)c1cccc(C)n1.
What is the InChIKey of (Z)-N-[3-(6-bromo-2-pyridinyl)prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
The InChIKey is OYOMYVGIKGUUOF-MOSHPQCFSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-12-6-3-9-15(18-12)13(2)20-21-11-5-8-14-7-4-10-16(17)19-14/h3-4,6-7,9-10H,11H2,1-2H3/b20-13-.
What are the key properties of (Z)-N-[3-(6-bromo-2-pyridinyl)prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
(Z)-N-[3-(6-bromo-2-pyridinyl)prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine has a molecular weight of 344.21 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-(6-bromo-2-pyridinyl)prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine is sourced from PubChem (CID 131740882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).