2-amino-N'-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-N-(2-methylhydrazinyl)pyridine-3-carboximidamide

C19H16F4N6 — CID 71161831

IUPAC2-amino-N'-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-N-(2-methylhydrazinyl)pyridine-3-carboximidamide
SMILESCNNN/C(=N\c1cccc(F)c1F)c1cc(-c2cc(F)cc(F)c2)cnc1N
InChIInChI=1S/C19H16F4N6/c1-25-29-28-19(27-16-4-2-3-15(22)17(16)23)14-7-11(9-26-18(14)24)10-5-12(20)8-13(21)6-10/h2-9,25,29H,1H3,(H2,24,26)(H,27,28)
InChIKeyJKAKYUSNGWSAAR-UHFFFAOYSA-N
MW404.37 g/mol
LogP3.19
Rot. Bonds5

About 2-amino-N'-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-N-(2-methylhydrazinyl)pyridine-3-carboximidamide

2-amino-N'-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-N-(2-methylhydrazinyl)pyridine-3-carboximidamide (PubChem CID 71161831) has the molecular formula C19H16F4N6 and a molecular weight of 404.37 g/mol. Its IUPAC name is 2-amino-N'-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-N-(2-methylhydrazinyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-amino-N'-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-N-(2-methylhydrazinyl)pyridine-3-carboximidamide
PubChem CID71161831
Molecular FormulaC19H16F4N6
Molecular Weight404.37 g/mol
Exact Mass404.14
IUPAC Name2-amino-N'-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-N-(2-methylhydrazinyl)pyridine-3-carboximidamide
SMILESCNNN/C(=N\c1cccc(F)c1F)c1cc(-c2cc(F)cc(F)c2)cnc1N
InChIInChI=1S/C19H16F4N6/c1-25-29-28-19(27-16-4-2-3-15(22)17(16)23)14-7-11(9-26-18(14)24)10-5-12(20)8-13(21)6-10/h2-9,25,29H,1H3,(H2,24,26)(H,27,28)
InChIKeyJKAKYUSNGWSAAR-UHFFFAOYSA-N
XLogP3.19
TPSA87.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-N-(2-methylhydrazinyl)pyridine-3-carboximidamide?
The IUPAC name of 2-amino-N'-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-N-(2-methylhydrazinyl)pyridine-3-carboximidamide (CID 71161831) is 2-amino-N'-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-N-(2-methylhydrazinyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-amino-N'-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-N-(2-methylhydrazinyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-amino-N'-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-N-(2-methylhydrazinyl)pyridine-3-carboximidamide is CNNN/C(=N\c1cccc(F)c1F)c1cc(-c2cc(F)cc(F)c2)cnc1N.
What is the InChIKey of 2-amino-N'-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-N-(2-methylhydrazinyl)pyridine-3-carboximidamide?
The InChIKey is JKAKYUSNGWSAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N6/c1-25-29-28-19(27-16-4-2-3-15(22)17(16)23)14-7-11(9-26-18(14)24)10-5-12(20)8-13(21)6-10/h2-9,25,29H,1H3,(H2,24,26)(H,27,28).
What are the key properties of 2-amino-N'-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-N-(2-methylhydrazinyl)pyridine-3-carboximidamide?
2-amino-N'-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-N-(2-methylhydrazinyl)pyridine-3-carboximidamide has a molecular weight of 404.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-N-(2-methylhydrazinyl)pyridine-3-carboximidamide is sourced from PubChem (CID 71161831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).