N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-yloxy-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide

C25H25Cl2N3O2 — CID 135127791

IUPACN-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-yloxy-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide
SMILESC=C(/N=C(/Nc1cc(Cl)cc(Cl)c1)c1cc(OC(C)C)c(OC)cc1C)c1cccnc1
InChIInChI=1S/C25H25Cl2N3O2/c1-15(2)32-24-13-22(16(3)9-23(24)31-5)25(29-17(4)18-7-6-8-28-14-18)30-21-11-19(26)10-20(27)12-21/h6-15H,4H2,1-3,5H3,(H,29,30)
InChIKeyHNACADQOPCXZGT-UHFFFAOYSA-N
MW470.40 g/mol
LogP7.02
Rot. Bonds7

About N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-yloxy-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide

N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-yloxy-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide (PubChem CID 135127791) has the molecular formula C25H25Cl2N3O2 and a molecular weight of 470.40 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-yloxy-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-yloxy-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide
PubChem CID135127791
Molecular FormulaC25H25Cl2N3O2
Molecular Weight470.40 g/mol
Exact Mass469.13
IUPAC NameN-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-yloxy-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide
SMILESC=C(/N=C(/Nc1cc(Cl)cc(Cl)c1)c1cc(OC(C)C)c(OC)cc1C)c1cccnc1
InChIInChI=1S/C25H25Cl2N3O2/c1-15(2)32-24-13-22(16(3)9-23(24)31-5)25(29-17(4)18-7-6-8-28-14-18)30-21-11-19(26)10-20(27)12-21/h6-15H,4H2,1-3,5H3,(H,29,30)
InChIKeyHNACADQOPCXZGT-UHFFFAOYSA-N
XLogP7.02
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.40
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(3-methoxy-4-methylphenyl)-2-methyl-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide
CID 89347951
N-(3-chloro-4-fluorophenyl)-5-methoxy-2-methyl-N'-[1-(6-methyl-3-pyridinyl)ethenyl]benzenecarboximidamide
CID 123513607
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 2386320
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826
N-(3,5-dichlorophenyl)-3-propan-2-yloxybenzamide
CID 4318037
1-(3-chloro-4-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 58626094
3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 71903078
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
3-[1-(2-methoxyphenyl)ethenyl]pyridine
CID 146574086
N'-ethenyl-4,5-dimethoxy-2-methyl-N-(3-methylphenyl)benzenecarboximidamide
CID 142018083
N'-[(Z)-1-(5-chloro-2-methoxyanilino)-4,4-difluorobut-1-enyl]-N-methylidenepyridine-3-carboximidamide;fluoromethane
CID 142147279

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-yloxy-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-yloxy-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide (CID 135127791) is N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-yloxy-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-yloxy-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-yloxy-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide is C=C(/N=C(/Nc1cc(Cl)cc(Cl)c1)c1cc(OC(C)C)c(OC)cc1C)c1cccnc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-yloxy-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide?
The InChIKey is HNACADQOPCXZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O2/c1-15(2)32-24-13-22(16(3)9-23(24)31-5)25(29-17(4)18-7-6-8-28-14-18)30-21-11-19(26)10-20(27)12-21/h6-15H,4H2,1-3,5H3,(H,29,30).
What are the key properties of N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-yloxy-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide?
N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-yloxy-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide has a molecular weight of 470.40 g/mol, XLogP of 7.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-yloxy-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide is sourced from PubChem (CID 135127791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).