2-amino-6-(3-formylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carboximidamide

C25H20N4O2 — CID 129065794

IUPAC2-amino-6-(3-formylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(-c2ccc(Oc3ccccc3)cc2)cc(-c2cccc(C=O)c2)nc1N
InChIInChI=1S/C25H20N4O2/c26-24(27)23-21(14-22(29-25(23)28)18-6-4-5-16(13-18)15-30)17-9-11-20(12-10-17)31-19-7-2-1-3-8-19/h1-15H,(H3,26,27)(H2,28,29)
InChIKeyKOHYQXSCKORNBR-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.89
Rot. Bonds6

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

2-amino-6-(3-formylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carboximidamide (PubChem CID 129065794) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-amino-6-(3-formylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-amino-6-(3-formylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carboximidamide
PubChem CID129065794
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name2-amino-6-(3-formylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(-c2ccc(Oc3ccccc3)cc2)cc(-c2cccc(C=O)c2)nc1N
InChIInChI=1S/C25H20N4O2/c26-24(27)23-21(14-22(29-25(23)28)18-6-4-5-16(13-18)15-30)17-9-11-20(12-10-17)31-19-7-2-1-3-8-19/h1-15H,(H3,26,27)(H2,28,29)
InChIKeyKOHYQXSCKORNBR-UHFFFAOYSA-N
XLogP4.89
TPSA115.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(3-formylphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083361
2-amino-4-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129065717
4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083628
3-amino-5-(4-phenoxyphenyl)-2-(4-phenylphenyl)pyridine-4-carboximidamide
CID 129083484
4-amino-2-tert-butyl-6-(4-phenoxyphenyl)pyrimidine-5-carboximidamide
CID 123851213
3-amino-2-[3-(dimethylamino)phenyl]-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083600
3-amino-2-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083599
3-[4-amino-5-carbamimidoyl-6-(4-phenoxyphenyl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 129083554
3-amino-5-(4-phenoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]pyridine-4-carboximidamide
CID 129083343
4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083523
2-(4-formylphenyl)benzenecarboximidamide
CID 89125419
2-[[4-[4-amino-5-carbamimidoyl-6-(4-phenoxyphenyl)-2-pyridinyl]benzoyl]amino]acetic acid
CID 129083547

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-formylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carboximidamide?
The IUPAC name of 2-amino-6-(3-formylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carboximidamide (CID 129065794) is 2-amino-6-(3-formylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-amino-6-(3-formylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-amino-6-(3-formylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1c(-c2ccc(Oc3ccccc3)cc2)cc(-c2cccc(C=O)c2)nc1N.
What is the InChIKey of 2-amino-6-(3-formylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carboximidamide?
The InChIKey is KOHYQXSCKORNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c26-24(27)23-21(14-22(29-25(23)28)18-6-4-5-16(13-18)15-30)17-9-11-20(12-10-17)31-19-7-2-1-3-8-19/h1-15H,(H3,26,27)(H2,28,29).
What are the key properties of 2-amino-6-(3-formylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carboximidamide?
2-amino-6-(3-formylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carboximidamide has a molecular weight of 408.46 g/mol, XLogP of 4.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-formylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carboximidamide is sourced from PubChem (CID 129065794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).