N-[[6-[2-(2,3-dimethylimidazol-4-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine

C25H31N5O2 — CID 58060561

IUPACN-[[6-[2-(2,3-dimethylimidazol-4-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
SMILESCc1cccc(/C=N/Cc2cc(N3CCOCC3)cc(OCCc3cnc(C)n3C)n2)c1
InChIInChI=1S/C25H31N5O2/c1-19-5-4-6-21(13-19)16-26-17-22-14-24(30-8-11-31-12-9-30)15-25(28-22)32-10-7-23-18-27-20(2)29(23)3/h4-6,13-16,18H,7-12,17H2,1-3H3/b26-16+
InChIKeyQATJZXDTJNXHAG-WGOQTCKBSA-N
MW433.56 g/mol
LogP3.51
Rot. Bonds8

About N-[[6-[2-(2,3-dimethylimidazol-4-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine

N-[[6-[2-(2,3-dimethylimidazol-4-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine (PubChem CID 58060561) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[[6-[2-(2,3-dimethylimidazol-4-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine.

Molecular Properties

Compound NameN-[[6-[2-(2,3-dimethylimidazol-4-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
PubChem CID58060561
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-[[6-[2-(2,3-dimethylimidazol-4-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
SMILESCc1cccc(/C=N/Cc2cc(N3CCOCC3)cc(OCCc3cnc(C)n3C)n2)c1
InChIInChI=1S/C25H31N5O2/c1-19-5-4-6-21(13-19)16-26-17-22-14-24(30-8-11-31-12-9-30)15-25(28-22)32-10-7-23-18-27-20(2)29(23)3/h4-6,13-16,18H,7-12,17H2,1-3H3/b26-16+
InChIKeyQATJZXDTJNXHAG-WGOQTCKBSA-N
XLogP3.51
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylphenyl)-N-[[6-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]methanimine
CID 58060439
1-(3-methylphenyl)-N-[[4-morpholin-4-yl-6-[2-(4-oxidomorpholin-4-ium-4-yl)ethoxy]-2-pyridinyl]methyl]methanimine
CID 58060217
1-[3-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolo[3,2-c]pyridin-1-yl]ethanone
CID 58060410
ethyl N-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]carbamate
CID 58060069
2-methyl-1-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-3-propylguanidine
CID 58060487
N-methyl-3-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyliminomethyl]aniline
CID 58060175
6-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 11314679
6-[2-(methylamino)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66683567
N-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
CID 58060423
2-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethanol
CID 66682083
N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-pyridin-2-yloxyethoxy)pyridin-2-amine
CID 66683643
6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682225

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(2,3-dimethylimidazol-4-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine?
The IUPAC name of N-[[6-[2-(2,3-dimethylimidazol-4-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine (CID 58060561) is N-[[6-[2-(2,3-dimethylimidazol-4-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine.
What is the SMILES notation for N-[[6-[2-(2,3-dimethylimidazol-4-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine?
The canonical SMILES for N-[[6-[2-(2,3-dimethylimidazol-4-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine is Cc1cccc(/C=N/Cc2cc(N3CCOCC3)cc(OCCc3cnc(C)n3C)n2)c1.
What is the InChIKey of N-[[6-[2-(2,3-dimethylimidazol-4-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine?
The InChIKey is QATJZXDTJNXHAG-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-19-5-4-6-21(13-19)16-26-17-22-14-24(30-8-11-31-12-9-30)15-25(28-22)32-10-7-23-18-27-20(2)29(23)3/h4-6,13-16,18H,7-12,17H2,1-3H3/b26-16+.
What are the key properties of N-[[6-[2-(2,3-dimethylimidazol-4-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine?
N-[[6-[2-(2,3-dimethylimidazol-4-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine has a molecular weight of 433.56 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(2,3-dimethylimidazol-4-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine is sourced from PubChem (CID 58060561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).