N'-[5-bromo-6-[(3-cyanocyclohexyl)methoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

C18H25BrN4O — CID 71003676

IUPACN'-[5-bromo-6-[(3-cyanocyclohexyl)methoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(Br)c(OCC2CCCC(C#N)C2)nc1C
InChIInChI=1S/C18H25BrN4O/c1-4-23(3)12-21-17-9-16(19)18(22-13(17)2)24-11-15-7-5-6-14(8-15)10-20/h9,12,14-15H,4-8,11H2,1-3H3/b21-12+
InChIKeyIGJBNBIRRKSEPG-CIAFOILYSA-N
MW393.33 g/mol
LogP4.47
Rot. Bonds6

About N'-[5-bromo-6-[(3-cyanocyclohexyl)methoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

N'-[5-bromo-6-[(3-cyanocyclohexyl)methoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 71003676) has the molecular formula C18H25BrN4O and a molecular weight of 393.33 g/mol. Its IUPAC name is N'-[5-bromo-6-[(3-cyanocyclohexyl)methoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[5-bromo-6-[(3-cyanocyclohexyl)methoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
PubChem CID71003676
Molecular FormulaC18H25BrN4O
Molecular Weight393.33 g/mol
Exact Mass392.12
IUPAC NameN'-[5-bromo-6-[(3-cyanocyclohexyl)methoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(Br)c(OCC2CCCC(C#N)C2)nc1C
InChIInChI=1S/C18H25BrN4O/c1-4-23(3)12-21-17-9-16(19)18(22-13(17)2)24-11-15-7-5-6-14(8-15)10-20/h9,12,14-15H,4-8,11H2,1-3H3/b21-12+
InChIKeyIGJBNBIRRKSEPG-CIAFOILYSA-N
XLogP4.47
TPSA61.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[5-bromo-6-[(3-cyanocyclohexyl)methoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide 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'-[5-bromo-6-(4-tert-butylcyclohexyl)oxy-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 71003651
N'-[5-bromo-6-[2-(3,5-difluorophenyl)ethoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 90022632
N'-[5-bromo-2-methyl-6-[(2S)-1-propoxypropan-2-yl]oxy-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 91971354
N'-[5-bromo-6-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 71003718
N-[[3-[[3-bromo-5-[[ethyl(methyl)amino]methylideneamino]-6-methyl-2-pyridinyl]oxy]phenyl]-ethyl-oxo-λ6-sulfanylidene]cyclobutanecarboxamide
CID 154629452
N'-[5-bromo-2-methyl-6-[(4-propan-2-ylcyclohexyl)amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 118034862
N'-(5-bromo-2-methyl-3-pyridinyl)-N-ethyl-N-methylmethanimidamide
CID 154629455
N-[[3-[[3-bromo-5-[[ethyl(methyl)amino]methylideneamino]-6-methyl-2-pyridinyl]oxy]phenyl]-methyl-oxo-λ6-sulfanylidene]-2-(oxan-4-yl)acetamide
CID 146546147
N'-[5-cyano-6-[4-(difluoromethoxy)cyclohexyl]oxy-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;4-(difluoromethoxy)cyclohexan-1-ol
CID 158992497
N'-[5-bromo-6-[(2-ethenyl-3-methylpenta-2,4-dienyl)-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 123383300
N'-[5-[1-(dimethylamino)ethenyl]-2,6-dimethyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 145294582
5-bromo-2-(cyclobutylmethoxy)-3-methylpyridine
CID 138985890

Frequently Asked Questions

What is the IUPAC name of N'-[5-bromo-6-[(3-cyanocyclohexyl)methoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[5-bromo-6-[(3-cyanocyclohexyl)methoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (CID 71003676) is N'-[5-bromo-6-[(3-cyanocyclohexyl)methoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[5-bromo-6-[(3-cyanocyclohexyl)methoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[5-bromo-6-[(3-cyanocyclohexyl)methoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(Br)c(OCC2CCCC(C#N)C2)nc1C.
What is the InChIKey of N'-[5-bromo-6-[(3-cyanocyclohexyl)methoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is IGJBNBIRRKSEPG-CIAFOILYSA-N. The full InChI is InChI=1S/C18H25BrN4O/c1-4-23(3)12-21-17-9-16(19)18(22-13(17)2)24-11-15-7-5-6-14(8-15)10-20/h9,12,14-15H,4-8,11H2,1-3H3/b21-12+.
What are the key properties of N'-[5-bromo-6-[(3-cyanocyclohexyl)methoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
N'-[5-bromo-6-[(3-cyanocyclohexyl)methoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 393.33 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-bromo-6-[(3-cyanocyclohexyl)methoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 71003676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).