3-amino-5-(4-phenoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]pyridine-4-carboximidamide

C25H19F3N4O2 — CID 129083343

IUPAC3-amino-5-(4-phenoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(-c2ccc(Oc3ccccc3)cc2)cnc(-c2cccc(OC(F)(F)F)c2)c1N
InChIInChI=1S/C25H19F3N4O2/c26-25(27,28)34-19-8-4-5-16(13-19)23-22(29)21(24(30)31)20(14-32-23)15-9-11-18(12-10-15)33-17-6-2-1-3-7-17/h1-14H,29H2,(H3,30,31)
InChIKeyNSDLGEQBFAQJKY-UHFFFAOYSA-N
MW464.45 g/mol
LogP5.97
Rot. Bonds6

About 3-amino-5-(4-phenoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]pyridine-4-carboximidamide

3-amino-5-(4-phenoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]pyridine-4-carboximidamide (PubChem CID 129083343) has the molecular formula C25H19F3N4O2 and a molecular weight of 464.45 g/mol. Its IUPAC name is 3-amino-5-(4-phenoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-amino-5-(4-phenoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]pyridine-4-carboximidamide
PubChem CID129083343
Molecular FormulaC25H19F3N4O2
Molecular Weight464.45 g/mol
Exact Mass464.15
IUPAC Name3-amino-5-(4-phenoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(-c2ccc(Oc3ccccc3)cc2)cnc(-c2cccc(OC(F)(F)F)c2)c1N
InChIInChI=1S/C25H19F3N4O2/c26-25(27,28)34-19-8-4-5-16(13-19)23-22(29)21(24(30)31)20(14-32-23)15-9-11-18(12-10-15)33-17-6-2-1-3-7-17/h1-14H,29H2,(H3,30,31)
InChIKeyNSDLGEQBFAQJKY-UHFFFAOYSA-N
XLogP5.97
TPSA107.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.45
LogP ≤ 55.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-amino-5-(4-phenoxyphenyl)-2-(4-phenylphenyl)pyridine-4-carboximidamide
CID 129083484
3-amino-2-[3-(dimethylamino)phenyl]-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083600
3-amino-2-(3-formylphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083361
3-amino-2-(3,4-dimethoxyphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083525
3-amino-2-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083599
3-amino-2-(1,3-benzodioxol-5-yl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083606
3-[4-amino-5-carbamimidoyl-6-(4-phenoxyphenyl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 129083554
5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083615
2-amino-4-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129065717
[5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 133086826
4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083628
4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083523

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-phenoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]pyridine-4-carboximidamide?
The IUPAC name of 3-amino-5-(4-phenoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]pyridine-4-carboximidamide (CID 129083343) is 3-amino-5-(4-phenoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]pyridine-4-carboximidamide.
What is the SMILES notation for 3-amino-5-(4-phenoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]pyridine-4-carboximidamide?
The canonical SMILES for 3-amino-5-(4-phenoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]pyridine-4-carboximidamide is [H]/N=C(\N)c1c(-c2ccc(Oc3ccccc3)cc2)cnc(-c2cccc(OC(F)(F)F)c2)c1N.
What is the InChIKey of 3-amino-5-(4-phenoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]pyridine-4-carboximidamide?
The InChIKey is NSDLGEQBFAQJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O2/c26-25(27,28)34-19-8-4-5-16(13-19)23-22(29)21(24(30)31)20(14-32-23)15-9-11-18(12-10-15)33-17-6-2-1-3-7-17/h1-14H,29H2,(H3,30,31).
What are the key properties of 3-amino-5-(4-phenoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]pyridine-4-carboximidamide?
3-amino-5-(4-phenoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]pyridine-4-carboximidamide has a molecular weight of 464.45 g/mol, XLogP of 5.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-phenoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]pyridine-4-carboximidamide is sourced from PubChem (CID 129083343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).