5-chloro-N-(3-methoxy-4-methylphenyl)-2-methyl-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide

C23H22ClN3O — CID 89347951

IUPAC5-chloro-N-(3-methoxy-4-methylphenyl)-2-methyl-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide
SMILESC=C(/N=C(/Nc1ccc(C)c(OC)c1)c1cc(Cl)ccc1C)c1cccnc1
InChIInChI=1S/C23H22ClN3O/c1-15-7-9-19(24)12-21(15)23(26-17(3)18-6-5-11-25-14-18)27-20-10-8-16(2)22(13-20)28-4/h5-14H,3H2,1-2,4H3,(H,26,27)
InChIKeyRLDXQDVMPQVDHB-UHFFFAOYSA-N
MW391.90 g/mol
LogP5.89
Rot. Bonds5

About 5-chloro-N-(3-methoxy-4-methylphenyl)-2-methyl-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide

5-chloro-N-(3-methoxy-4-methylphenyl)-2-methyl-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide (PubChem CID 89347951) has the molecular formula C23H22ClN3O and a molecular weight of 391.90 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxy-4-methylphenyl)-2-methyl-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-N-(3-methoxy-4-methylphenyl)-2-methyl-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide
PubChem CID89347951
Molecular FormulaC23H22ClN3O
Molecular Weight391.90 g/mol
Exact Mass391.15
IUPAC Name5-chloro-N-(3-methoxy-4-methylphenyl)-2-methyl-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide
SMILESC=C(/N=C(/Nc1ccc(C)c(OC)c1)c1cc(Cl)ccc1C)c1cccnc1
InChIInChI=1S/C23H22ClN3O/c1-15-7-9-19(24)12-21(15)23(26-17(3)18-6-5-11-25-14-18)27-20-10-8-16(2)22(13-20)28-4/h5-14H,3H2,1-2,4H3,(H,26,27)
InChIKeyRLDXQDVMPQVDHB-UHFFFAOYSA-N
XLogP5.89
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-yloxy-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide
CID 135127791
N-(3-chloro-4-fluorophenyl)-5-methoxy-2-methyl-N'-[1-(6-methyl-3-pyridinyl)ethenyl]benzenecarboximidamide
CID 123513607
5-chloro-N'-(4-chloro-2-fluorophenyl)-2-methyl-N-(1-pyridin-3-ylethenyl)benzenecarboximidamide
CID 89348126
6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274424
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 689201
1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea
CID 125177918
N-[2-methoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 38661253
(4-chloro-2-methylphenyl) 3-(pyridine-3-carbonylamino)benzoate
CID 39995278
N'-[(Z)-1-(5-chloro-2-methoxyanilino)-4,4-difluorobut-1-enyl]-N-methylidenepyridine-3-carboximidamide;fluoromethane
CID 142147279
1-(3,4-dimethoxyphenyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea
CID 6035476
N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide
CID 38661634

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxy-4-methylphenyl)-2-methyl-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide?
The IUPAC name of 5-chloro-N-(3-methoxy-4-methylphenyl)-2-methyl-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide (CID 89347951) is 5-chloro-N-(3-methoxy-4-methylphenyl)-2-methyl-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide.
What is the SMILES notation for 5-chloro-N-(3-methoxy-4-methylphenyl)-2-methyl-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide?
The canonical SMILES for 5-chloro-N-(3-methoxy-4-methylphenyl)-2-methyl-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide is C=C(/N=C(/Nc1ccc(C)c(OC)c1)c1cc(Cl)ccc1C)c1cccnc1.
What is the InChIKey of 5-chloro-N-(3-methoxy-4-methylphenyl)-2-methyl-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide?
The InChIKey is RLDXQDVMPQVDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O/c1-15-7-9-19(24)12-21(15)23(26-17(3)18-6-5-11-25-14-18)27-20-10-8-16(2)22(13-20)28-4/h5-14H,3H2,1-2,4H3,(H,26,27).
What are the key properties of 5-chloro-N-(3-methoxy-4-methylphenyl)-2-methyl-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide?
5-chloro-N-(3-methoxy-4-methylphenyl)-2-methyl-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide has a molecular weight of 391.90 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxy-4-methylphenyl)-2-methyl-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide is sourced from PubChem (CID 89347951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).