4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide

C30H24N4O2 — CID 129083628

IUPAC4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N)cc(-c2ccc(Oc3ccccc3)cc2)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C30H24N4O2/c31-26-19-27(20-11-15-24(16-12-20)35-22-7-3-1-4-8-22)34-29(28(26)30(32)33)21-13-17-25(18-14-21)36-23-9-5-2-6-10-23/h1-19H,(H2,31,34)(H3,32,33)
InChIKeyYGRZLEPLJGBUHN-UHFFFAOYSA-N
MW472.55 g/mol
LogP6.87
Rot. Bonds7

About 4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide

4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide (PubChem CID 129083628) has the molecular formula C30H24N4O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide
PubChem CID129083628
Molecular FormulaC30H24N4O2
Molecular Weight472.55 g/mol
Exact Mass472.19
IUPAC Name4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N)cc(-c2ccc(Oc3ccccc3)cc2)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C30H24N4O2/c31-26-19-27(20-11-15-24(16-12-20)35-22-7-3-1-4-8-22)34-29(28(26)30(32)33)21-13-17-25(18-14-21)36-23-9-5-2-6-10-23/h1-19H,(H2,31,34)(H3,32,33)
InChIKeyYGRZLEPLJGBUHN-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide?
The IUPAC name of 4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide (CID 129083628) is 4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide.
What is the SMILES notation for 4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide?
The canonical SMILES for 4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1c(N)cc(-c2ccc(Oc3ccccc3)cc2)nc1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide?
The InChIKey is YGRZLEPLJGBUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O2/c31-26-19-27(20-11-15-24(16-12-20)35-22-7-3-1-4-8-22)34-29(28(26)30(32)33)21-13-17-25(18-14-21)36-23-9-5-2-6-10-23/h1-19H,(H2,31,34)(H3,32,33).
What are the key properties of 4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide?
4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-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 4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide is sourced from PubChem (CID 129083628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).