N'-[3-[(2,6-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-2-phenylethanimidamide

C21H19F2N3O — CID 54377126

IUPACN'-[3-[(2,6-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-2-phenylethanimidamide
SMILESCc1ccc(OCc2c(F)cccc2F)c(N=C(N)Cc2ccccc2)n1
InChIInChI=1S/C21H19F2N3O/c1-14-10-11-19(27-13-16-17(22)8-5-9-18(16)23)21(25-14)26-20(24)12-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H2,24,25,26)
InChIKeyUXHQOIUZUBTUHK-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.48
Rot. Bonds6

About N'-[3-[(2,6-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-2-phenylethanimidamide

N'-[3-[(2,6-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-2-phenylethanimidamide (PubChem CID 54377126) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is N'-[3-[(2,6-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-2-phenylethanimidamide.

Molecular Properties

Compound NameN'-[3-[(2,6-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-2-phenylethanimidamide
PubChem CID54377126
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC NameN'-[3-[(2,6-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-2-phenylethanimidamide
SMILESCc1ccc(OCc2c(F)cccc2F)c(N=C(N)Cc2ccccc2)n1
InChIInChI=1S/C21H19F2N3O/c1-14-10-11-19(27-13-16-17(22)8-5-9-18(16)23)21(25-14)26-20(24)12-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H2,24,25,26)
InChIKeyUXHQOIUZUBTUHK-UHFFFAOYSA-N
XLogP4.48
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.48
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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Frequently Asked Questions

What is the IUPAC name of N'-[3-[(2,6-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-2-phenylethanimidamide?
The IUPAC name of N'-[3-[(2,6-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-2-phenylethanimidamide (CID 54377126) is N'-[3-[(2,6-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-2-phenylethanimidamide.
What is the SMILES notation for N'-[3-[(2,6-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-2-phenylethanimidamide?
The canonical SMILES for N'-[3-[(2,6-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-2-phenylethanimidamide is Cc1ccc(OCc2c(F)cccc2F)c(N=C(N)Cc2ccccc2)n1.
What is the InChIKey of N'-[3-[(2,6-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-2-phenylethanimidamide?
The InChIKey is UXHQOIUZUBTUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O/c1-14-10-11-19(27-13-16-17(22)8-5-9-18(16)23)21(25-14)26-20(24)12-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H2,24,25,26).
What are the key properties of N'-[3-[(2,6-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-2-phenylethanimidamide?
N'-[3-[(2,6-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-2-phenylethanimidamide has a molecular weight of 367.40 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(2,6-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-2-phenylethanimidamide is sourced from PubChem (CID 54377126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).