2-amino-N'-[4-aminooxy-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]benzenecarboximidamide

C19H16F3N5O — CID 146968394

IUPAC2-amino-N'-[4-aminooxy-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]benzenecarboximidamide
SMILESNOc1cc(N=C(N)c2ccccc2N)nc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H16F3N5O/c20-19(21,22)14-7-3-1-5-12(14)16-9-11(28-25)10-17(26-16)27-18(24)13-6-2-4-8-15(13)23/h1-10H,23,25H2,(H2,24,26,27)
InChIKeyALYLQDGZNGZZIQ-UHFFFAOYSA-N
MW387.37 g/mol
LogP3.64
Rot. Bonds4

About 2-amino-N'-[4-aminooxy-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]benzenecarboximidamide

2-amino-N'-[4-aminooxy-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]benzenecarboximidamide (PubChem CID 146968394) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is 2-amino-N'-[4-aminooxy-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-amino-N'-[4-aminooxy-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]benzenecarboximidamide
PubChem CID146968394
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC Name2-amino-N'-[4-aminooxy-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]benzenecarboximidamide
SMILESNOc1cc(N=C(N)c2ccccc2N)nc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H16F3N5O/c20-19(21,22)14-7-3-1-5-12(14)16-9-11(28-25)10-17(26-16)27-18(24)13-6-2-4-8-15(13)23/h1-10H,23,25H2,(H2,24,26,27)
InChIKeyALYLQDGZNGZZIQ-UHFFFAOYSA-N
XLogP3.64
TPSA112.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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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Related Compounds

2-amino-N'-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]benzenecarboximidamide
CID 162578271
2-amino-N'-[4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzenecarboximidamide
CID 161136601
4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine
CID 134618215
3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine
CID 71193142
N'-(4-methoxyphenyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 135071649
2-amino-5-fluoro-N'-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]benzenecarboximidamide
CID 142125600
[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]hydrazine
CID 62041944
[2-(trifluoromethyl)phenyl] 2-aminobenzoate
CID 57484622
[3-amino-4-chloro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]azanide
CID 159694098
[5-amino-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 134629153
3-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 69026601
4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 118817860

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-[4-aminooxy-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]benzenecarboximidamide?
The IUPAC name of 2-amino-N'-[4-aminooxy-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]benzenecarboximidamide (CID 146968394) is 2-amino-N'-[4-aminooxy-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]benzenecarboximidamide.
What is the SMILES notation for 2-amino-N'-[4-aminooxy-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]benzenecarboximidamide?
The canonical SMILES for 2-amino-N'-[4-aminooxy-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]benzenecarboximidamide is NOc1cc(N=C(N)c2ccccc2N)nc(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2-amino-N'-[4-aminooxy-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]benzenecarboximidamide?
The InChIKey is ALYLQDGZNGZZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O/c20-19(21,22)14-7-3-1-5-12(14)16-9-11(28-25)10-17(26-16)27-18(24)13-6-2-4-8-15(13)23/h1-10H,23,25H2,(H2,24,26,27).
What are the key properties of 2-amino-N'-[4-aminooxy-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]benzenecarboximidamide?
2-amino-N'-[4-aminooxy-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]benzenecarboximidamide has a molecular weight of 387.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-[4-aminooxy-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]benzenecarboximidamide is sourced from PubChem (CID 146968394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).