methyl 2-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethenyl]pyridine-3-carboximidate

C21H16Cl2N2O — CID 143793978

IUPACmethyl 2-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethenyl]pyridine-3-carboximidate
SMILESC=C(/N=C(\OC)c1cccnc1-c1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C21H16Cl2N2O/c1-14(16-5-3-6-18(23)13-16)25-21(26-2)19-7-4-12-24-20(19)15-8-10-17(22)11-9-15/h3-13H,1H2,2H3/b25-21-
InChIKeyVZBVKJCMZIHRHL-DAFNUICNSA-N
MW383.28 g/mol
LogP6.12
Rot. Bonds4

About methyl 2-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethenyl]pyridine-3-carboximidate

methyl 2-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethenyl]pyridine-3-carboximidate (PubChem CID 143793978) has the molecular formula C21H16Cl2N2O and a molecular weight of 383.28 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethenyl]pyridine-3-carboximidate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethenyl]pyridine-3-carboximidate
PubChem CID143793978
Molecular FormulaC21H16Cl2N2O
Molecular Weight383.28 g/mol
Exact Mass382.06
IUPAC Namemethyl 2-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethenyl]pyridine-3-carboximidate
SMILESC=C(/N=C(\OC)c1cccnc1-c1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C21H16Cl2N2O/c1-14(16-5-3-6-18(23)13-16)25-21(26-2)19-7-4-12-24-20(19)15-8-10-17(22)11-9-15/h3-13H,1H2,2H3/b25-21-
InChIKeyVZBVKJCMZIHRHL-DAFNUICNSA-N
XLogP6.12
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.28
LogP ≤ 56.12
H-Bond Donors ≤ 50
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

methyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane
CID 170705123
2-(4-chlorophenyl)pyridine-3-carboxamide
CID 140983292
2-(4-chlorophenyl)pyridine-3-carbothioamide
CID 57370610
2-(4-chlorophenyl)-3-methoxypyridine
CID 90122541
2-(4-chlorophenyl)-3-(methoxymethyl)pyridine
CID 59165700
3-[1-(3-chlorophenyl)ethenyl]-2-(1-phenylethylsulfanyl)pyridine
CID 101472817
2-(4-chlorophenyl)-3-fluoropyridine
CID 66678603
2-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpyridine-3-carboxamide
CID 15002774
3-fluoro-2-(4-prop-1-en-2-ylphenyl)pyridine
CID 143030314
1-chloro-3-[1-(3-chlorophenyl)ethenyl]benzene
CID 10243768
4-(3-acetamido-2-pyridinyl)-N-(3-chlorophenyl)benzamide
CID 46386362
5-chloro-N-(3-methoxy-4-methylphenyl)-2-methyl-N'-(1-pyridin-3-ylethenyl)benzenecarboximidamide
CID 89347951

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethenyl]pyridine-3-carboximidate?
The IUPAC name of methyl 2-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethenyl]pyridine-3-carboximidate (CID 143793978) is methyl 2-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethenyl]pyridine-3-carboximidate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethenyl]pyridine-3-carboximidate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethenyl]pyridine-3-carboximidate is C=C(/N=C(\OC)c1cccnc1-c1ccc(Cl)cc1)c1cccc(Cl)c1.
What is the InChIKey of methyl 2-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethenyl]pyridine-3-carboximidate?
The InChIKey is VZBVKJCMZIHRHL-DAFNUICNSA-N. The full InChI is InChI=1S/C21H16Cl2N2O/c1-14(16-5-3-6-18(23)13-16)25-21(26-2)19-7-4-12-24-20(19)15-8-10-17(22)11-9-15/h3-13H,1H2,2H3/b25-21-.
What are the key properties of methyl 2-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethenyl]pyridine-3-carboximidate?
methyl 2-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethenyl]pyridine-3-carboximidate has a molecular weight of 383.28 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethenyl]pyridine-3-carboximidate is sourced from PubChem (CID 143793978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).