N-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine

C20H26N4O3 — CID 123248011

IUPACN-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
SMILESCON=C(C)c1cc(OC)cc(CCCON=C(C)c2cccc(C)n2)n1
InChIInChI=1S/C20H26N4O3/c1-14-8-6-10-19(21-14)15(2)24-27-11-7-9-17-12-18(25-4)13-20(22-17)16(3)23-26-5/h6,8,10,12-13H,7,9,11H2,1-5H3
InChIKeyCEMDIHYKUOZKSU-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.54
Rot. Bonds9

About N-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine

N-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine (PubChem CID 123248011) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine.

Molecular Properties

Compound NameN-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
PubChem CID123248011
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
SMILESCON=C(C)c1cc(OC)cc(CCCON=C(C)c2cccc(C)n2)n1
InChIInChI=1S/C20H26N4O3/c1-14-8-6-10-19(21-14)15(2)24-27-11-7-9-17-12-18(25-4)13-20(22-17)16(3)23-26-5/h6,8,10,12-13H,7,9,11H2,1-5H3
InChIKeyCEMDIHYKUOZKSU-UHFFFAOYSA-N
XLogP3.54
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

Analyze N-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-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

N-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 123636438
(E)-1-[6-[3-[(E)-1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine
CID 87171782
1-[6-[3-[1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine
CID 123612399
(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
6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine
CID 88584214
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
N-[3-[6-(6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 123395455
N-methoxy-1-[6-[4-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxybut-1-en-2-yl]-2-pyridinyl]ethanimine
CID 123316303
N-[3-[6-(4-chloro-6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 123623329
(E)-N-methoxy-1-[6-[3-[(E)-1-[6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)-2-pyridinyl]ethylideneamino]oxypropyl]-2-pyridinyl]ethanimine
CID 88584079

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
The IUPAC name of N-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine (CID 123248011) is N-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine.
What is the SMILES notation for N-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
The canonical SMILES for N-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine is CON=C(C)c1cc(OC)cc(CCCON=C(C)c2cccc(C)n2)n1.
What is the InChIKey of N-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
The InChIKey is CEMDIHYKUOZKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-8-6-10-19(21-14)15(2)24-27-11-7-9-17-12-18(25-4)13-20(22-17)16(3)23-26-5/h6,8,10,12-13H,7,9,11H2,1-5H3.
What are the key properties of N-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine?
N-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine has a molecular weight of 370.45 g/mol, XLogP of 3.54, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine is sourced from PubChem (CID 123248011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).