3-amino-2-(3-formylphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide

C25H20N4O2 — CID 129083361

IUPAC3-amino-2-(3-formylphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(-c2ccc(Oc3ccccc3)cc2)cnc(-c2cccc(C=O)c2)c1N
InChIInChI=1S/C25H20N4O2/c26-23-22(25(27)28)21(14-29-24(23)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,26H2,(H3,27,28)
InChIKeyDJHIWSCVYJXGNP-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.89
Rot. Bonds6

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

3-amino-2-(3-formylphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide (PubChem CID 129083361) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-amino-2-(3-formylphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-amino-2-(3-formylphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
PubChem CID129083361
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name3-amino-2-(3-formylphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(-c2ccc(Oc3ccccc3)cc2)cnc(-c2cccc(C=O)c2)c1N
InChIInChI=1S/C25H20N4O2/c26-23-22(25(27)28)21(14-29-24(23)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,26H2,(H3,27,28)
InChIKeyDJHIWSCVYJXGNP-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-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-5-(4-phenoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]pyridine-4-carboximidamide
CID 129083343
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
2-amino-6-(3-formylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129065794
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
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-2-(3-formylphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide?
The IUPAC name of 3-amino-2-(3-formylphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide (CID 129083361) is 3-amino-2-(3-formylphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide.
What is the SMILES notation for 3-amino-2-(3-formylphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide?
The canonical SMILES for 3-amino-2-(3-formylphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide is [H]/N=C(\N)c1c(-c2ccc(Oc3ccccc3)cc2)cnc(-c2cccc(C=O)c2)c1N.
What is the InChIKey of 3-amino-2-(3-formylphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide?
The InChIKey is DJHIWSCVYJXGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c26-23-22(25(27)28)21(14-29-24(23)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,26H2,(H3,27,28).
What are the key properties of 3-amino-2-(3-formylphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide?
3-amino-2-(3-formylphenyl)-5-(4-phenoxyphenyl)pyridine-4-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 3-amino-2-(3-formylphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide is sourced from PubChem (CID 129083361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).