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

C30H24N4O — CID 129083484

IUPAC3-amino-5-(4-phenoxyphenyl)-2-(4-phenylphenyl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(-c2ccc(Oc3ccccc3)cc2)cnc(-c2ccc(-c3ccccc3)cc2)c1N
InChIInChI=1S/C30H24N4O/c31-28-27(30(32)33)26(22-15-17-25(18-16-22)35-24-9-5-2-6-10-24)19-34-29(28)23-13-11-21(12-14-23)20-7-3-1-4-8-20/h1-19H,31H2,(H3,32,33)
InChIKeyINSKVRQZTAAOAN-UHFFFAOYSA-N
MW456.55 g/mol
LogP6.74
Rot. Bonds6

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

3-amino-5-(4-phenoxyphenyl)-2-(4-phenylphenyl)pyridine-4-carboximidamide (PubChem CID 129083484) has the molecular formula C30H24N4O and a molecular weight of 456.55 g/mol. Its IUPAC name is 3-amino-5-(4-phenoxyphenyl)-2-(4-phenylphenyl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-amino-5-(4-phenoxyphenyl)-2-(4-phenylphenyl)pyridine-4-carboximidamide
PubChem CID129083484
Molecular FormulaC30H24N4O
Molecular Weight456.55 g/mol
Exact Mass456.20
IUPAC Name3-amino-5-(4-phenoxyphenyl)-2-(4-phenylphenyl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(-c2ccc(Oc3ccccc3)cc2)cnc(-c2ccc(-c3ccccc3)cc2)c1N
InChIInChI=1S/C30H24N4O/c31-28-27(30(32)33)26(22-15-17-25(18-16-22)35-24-9-5-2-6-10-24)19-34-29(28)23-13-11-21(12-14-23)20-7-3-1-4-8-20/h1-19H,31H2,(H3,32,33)
InChIKeyINSKVRQZTAAOAN-UHFFFAOYSA-N
XLogP6.74
TPSA98.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 56.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-2-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083599
3-amino-2-[3-(dimethylamino)phenyl]-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083600
3-amino-2-(3,4-dimethoxyphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083525
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
3-amino-2-(1,3-benzodioxol-5-yl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083606
5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083615
2-amino-4-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129065717
3-[4-amino-5-carbamimidoyl-6-(4-phenoxyphenyl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 129083554
4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083523
4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083628
4-amino-2-tert-butyl-6-(4-phenoxyphenyl)pyrimidine-5-carboximidamide
CID 123851213

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-phenoxyphenyl)-2-(4-phenylphenyl)pyridine-4-carboximidamide?
The IUPAC name of 3-amino-5-(4-phenoxyphenyl)-2-(4-phenylphenyl)pyridine-4-carboximidamide (CID 129083484) is 3-amino-5-(4-phenoxyphenyl)-2-(4-phenylphenyl)pyridine-4-carboximidamide.
What is the SMILES notation for 3-amino-5-(4-phenoxyphenyl)-2-(4-phenylphenyl)pyridine-4-carboximidamide?
The canonical SMILES for 3-amino-5-(4-phenoxyphenyl)-2-(4-phenylphenyl)pyridine-4-carboximidamide is [H]/N=C(\N)c1c(-c2ccc(Oc3ccccc3)cc2)cnc(-c2ccc(-c3ccccc3)cc2)c1N.
What is the InChIKey of 3-amino-5-(4-phenoxyphenyl)-2-(4-phenylphenyl)pyridine-4-carboximidamide?
The InChIKey is INSKVRQZTAAOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O/c31-28-27(30(32)33)26(22-15-17-25(18-16-22)35-24-9-5-2-6-10-24)19-34-29(28)23-13-11-21(12-14-23)20-7-3-1-4-8-20/h1-19H,31H2,(H3,32,33).
What are the key properties of 3-amino-5-(4-phenoxyphenyl)-2-(4-phenylphenyl)pyridine-4-carboximidamide?
3-amino-5-(4-phenoxyphenyl)-2-(4-phenylphenyl)pyridine-4-carboximidamide has a molecular weight of 456.55 g/mol, XLogP of 6.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-phenoxyphenyl)-2-(4-phenylphenyl)pyridine-4-carboximidamide is sourced from PubChem (CID 129083484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).