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

C18H16N4O — CID 129065717

IUPAC2-amino-4-(4-phenoxyphenyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(-c2ccc(Oc3ccccc3)cc2)ccnc1N
InChIInChI=1S/C18H16N4O/c19-17(20)16-15(10-11-22-18(16)21)12-6-8-14(9-7-12)23-13-4-2-1-3-5-13/h1-11H,(H3,19,20)(H2,21,22)
InChIKeySBDYFTDSMDLHII-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.41
Rot. Bonds4

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

2-amino-4-(4-phenoxyphenyl)pyridine-3-carboximidamide (PubChem CID 129065717) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-amino-4-(4-phenoxyphenyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-amino-4-(4-phenoxyphenyl)pyridine-3-carboximidamide
PubChem CID129065717
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-amino-4-(4-phenoxyphenyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(-c2ccc(Oc3ccccc3)cc2)ccnc1N
InChIInChI=1S/C18H16N4O/c19-17(20)16-15(10-11-22-18(16)21)12-6-8-14(9-7-12)23-13-4-2-1-3-5-13/h1-11H,(H3,19,20)(H2,21,22)
InChIKeySBDYFTDSMDLHII-UHFFFAOYSA-N
XLogP3.41
TPSA98.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.41
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-5-(4-phenoxyphenyl)-2-(4-phenylphenyl)pyridine-4-carboximidamide
CID 129083484
3-amino-2-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083599
5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083615
4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083523
2-amino-6-(3-formylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129065794
3-amino-2-(3,4-dimethoxyphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083525
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
3-amino-2-(1,3-benzodioxol-5-yl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083606
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-formylphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083361

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-phenoxyphenyl)pyridine-3-carboximidamide?
The IUPAC name of 2-amino-4-(4-phenoxyphenyl)pyridine-3-carboximidamide (CID 129065717) is 2-amino-4-(4-phenoxyphenyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-amino-4-(4-phenoxyphenyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-amino-4-(4-phenoxyphenyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1c(-c2ccc(Oc3ccccc3)cc2)ccnc1N.
What is the InChIKey of 2-amino-4-(4-phenoxyphenyl)pyridine-3-carboximidamide?
The InChIKey is SBDYFTDSMDLHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c19-17(20)16-15(10-11-22-18(16)21)12-6-8-14(9-7-12)23-13-4-2-1-3-5-13/h1-11H,(H3,19,20)(H2,21,22).
What are the key properties of 2-amino-4-(4-phenoxyphenyl)pyridine-3-carboximidamide?
2-amino-4-(4-phenoxyphenyl)pyridine-3-carboximidamide has a molecular weight of 304.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-phenoxyphenyl)pyridine-3-carboximidamide is sourced from PubChem (CID 129065717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).