N'-[4-(2-fluoro-3-methoxyphenyl)-2-methoxy-6-methylphenyl]-N-methylidenepyridine-3-carboximidamide

C22H20FN3O2 — CID 144501519

IUPACN'-[4-(2-fluoro-3-methoxyphenyl)-2-methoxy-6-methylphenyl]-N-methylidenepyridine-3-carboximidamide
SMILESC=N/C(=N\c1c(C)cc(-c2cccc(OC)c2F)cc1OC)c1cccnc1
InChIInChI=1S/C22H20FN3O2/c1-14-11-16(17-8-5-9-18(27-3)20(17)23)12-19(28-4)21(14)26-22(24-2)15-7-6-10-25-13-15/h5-13H,2H2,1,3-4H3/b26-22-
InChIKeyNAIODLFSHPQWJU-ROMGYVFFSA-N
MW377.42 g/mol
LogP4.99
Rot. Bonds5

About N'-[4-(2-fluoro-3-methoxyphenyl)-2-methoxy-6-methylphenyl]-N-methylidenepyridine-3-carboximidamide

N'-[4-(2-fluoro-3-methoxyphenyl)-2-methoxy-6-methylphenyl]-N-methylidenepyridine-3-carboximidamide (PubChem CID 144501519) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is N'-[4-(2-fluoro-3-methoxyphenyl)-2-methoxy-6-methylphenyl]-N-methylidenepyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[4-(2-fluoro-3-methoxyphenyl)-2-methoxy-6-methylphenyl]-N-methylidenepyridine-3-carboximidamide
PubChem CID144501519
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC NameN'-[4-(2-fluoro-3-methoxyphenyl)-2-methoxy-6-methylphenyl]-N-methylidenepyridine-3-carboximidamide
SMILESC=N/C(=N\c1c(C)cc(-c2cccc(OC)c2F)cc1OC)c1cccnc1
InChIInChI=1S/C22H20FN3O2/c1-14-11-16(17-8-5-9-18(27-3)20(17)23)12-19(28-4)21(14)26-22(24-2)15-7-6-10-25-13-15/h5-13H,2H2,1,3-4H3/b26-22-
InChIKeyNAIODLFSHPQWJU-ROMGYVFFSA-N
XLogP4.99
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.99
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'}

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Related Compounds

4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876946
5-(2-fluoro-3-methoxyphenyl)-3-methylpyridin-2-amine
CID 83170169
3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine
CID 158694980
3-(2-fluoro-3-methoxyphenyl)benzoic acid
CID 53216650
N-methylidene-N'-[2-methyl-4-(2-phenyl-1,3-thiazol-5-yl)phenyl]pyridine-3-carboximidamide
CID 144501112
5-(2,3-difluorophenyl)-3-prop-1-en-2-yl-2-(1-pyridin-3-ylethylideneamino)phenol
CID 123824442
3-(2-methoxyphenyl)pyridine
CID 4133297
3-(2,3-dimethoxyphenyl)pyridine
CID 22001178
1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene
CID 134620248
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
4-[2-(2,4-difluorophenyl)-6-methoxyphenyl]-2-pyridin-3-ylpyridine
CID 90920318
3-[1-(2-methoxyphenyl)ethenyl]pyridine
CID 146574086

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-fluoro-3-methoxyphenyl)-2-methoxy-6-methylphenyl]-N-methylidenepyridine-3-carboximidamide?
The IUPAC name of N'-[4-(2-fluoro-3-methoxyphenyl)-2-methoxy-6-methylphenyl]-N-methylidenepyridine-3-carboximidamide (CID 144501519) is N'-[4-(2-fluoro-3-methoxyphenyl)-2-methoxy-6-methylphenyl]-N-methylidenepyridine-3-carboximidamide.
What is the SMILES notation for N'-[4-(2-fluoro-3-methoxyphenyl)-2-methoxy-6-methylphenyl]-N-methylidenepyridine-3-carboximidamide?
The canonical SMILES for N'-[4-(2-fluoro-3-methoxyphenyl)-2-methoxy-6-methylphenyl]-N-methylidenepyridine-3-carboximidamide is C=N/C(=N\c1c(C)cc(-c2cccc(OC)c2F)cc1OC)c1cccnc1.
What is the InChIKey of N'-[4-(2-fluoro-3-methoxyphenyl)-2-methoxy-6-methylphenyl]-N-methylidenepyridine-3-carboximidamide?
The InChIKey is NAIODLFSHPQWJU-ROMGYVFFSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-14-11-16(17-8-5-9-18(27-3)20(17)23)12-19(28-4)21(14)26-22(24-2)15-7-6-10-25-13-15/h5-13H,2H2,1,3-4H3/b26-22-.
What are the key properties of N'-[4-(2-fluoro-3-methoxyphenyl)-2-methoxy-6-methylphenyl]-N-methylidenepyridine-3-carboximidamide?
N'-[4-(2-fluoro-3-methoxyphenyl)-2-methoxy-6-methylphenyl]-N-methylidenepyridine-3-carboximidamide has a molecular weight of 377.42 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-fluoro-3-methoxyphenyl)-2-methoxy-6-methylphenyl]-N-methylidenepyridine-3-carboximidamide is sourced from PubChem (CID 144501519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).