5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide

C30H24N4O2 — CID 129083615

IUPAC5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N)cnc(-c2ccc(Oc3ccccc3)cc2)c1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C30H24N4O2/c31-26-19-34-29(21-13-17-25(18-14-21)36-23-9-5-2-6-10-23)27(28(26)30(32)33)20-11-15-24(16-12-20)35-22-7-3-1-4-8-22/h1-19H,31H2,(H3,32,33)
InChIKeyGLIOASTYICAYHG-UHFFFAOYSA-N
MW472.55 g/mol
LogP6.87
Rot. Bonds7

About 5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide

5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide (PubChem CID 129083615) has the molecular formula C30H24N4O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide
PubChem CID129083615
Molecular FormulaC30H24N4O2
Molecular Weight472.55 g/mol
Exact Mass472.19
IUPAC Name5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N)cnc(-c2ccc(Oc3ccccc3)cc2)c1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C30H24N4O2/c31-26-19-34-29(21-13-17-25(18-14-21)36-23-9-5-2-6-10-23)27(28(26)30(32)33)20-11-15-24(16-12-20)35-22-7-3-1-4-8-22/h1-19H,31H2,(H3,32,33)
InChIKeyGLIOASTYICAYHG-UHFFFAOYSA-N
XLogP6.87
TPSA107.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 56.87
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-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083599
4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083628
2-amino-4-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129065717
3-amino-2-(3,4-dimethoxyphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083525
4-amino-2-tert-butyl-6-(4-phenoxyphenyl)pyrimidine-5-carboximidamide
CID 123851213
4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083523
3-amino-2-[3-(dimethylamino)phenyl]-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083600
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
3-amino-2-(3-formylphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083361
3-amino-5-(4-phenoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]pyridine-4-carboximidamide
CID 129083343

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide?
The IUPAC name of 5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide (CID 129083615) is 5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide.
What is the SMILES notation for 5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide?
The canonical SMILES for 5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide is [H]/N=C(\N)c1c(N)cnc(-c2ccc(Oc3ccccc3)cc2)c1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide?
The InChIKey is GLIOASTYICAYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O2/c31-26-19-34-29(21-13-17-25(18-14-21)36-23-9-5-2-6-10-23)27(28(26)30(32)33)20-11-15-24(16-12-20)35-22-7-3-1-4-8-22/h1-19H,31H2,(H3,32,33).
What are the key properties of 5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide?
5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide has a molecular weight of 472.55 g/mol, XLogP of 6.87, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide is sourced from PubChem (CID 129083615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).