[3-[6-amino-5-(4-aminophenyl)-3-pyridinyl]phenyl]peroxymethanol

C18H17N3O3 — CID 129135734

IUPAC[3-[6-amino-5-(4-aminophenyl)-3-pyridinyl]phenyl]peroxymethanol
SMILESNc1ccc(-c2cc(-c3cccc(OOCO)c3)cnc2N)cc1
InChIInChI=1S/C18H17N3O3/c19-15-6-4-12(5-7-15)17-9-14(10-21-18(17)20)13-2-1-3-16(8-13)24-23-11-22/h1-10,22H,11,19H2,(H2,20,21)
InChIKeySWDIOXYHXKKMCD-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.84
Rot. Bonds5

About [3-[6-amino-5-(4-aminophenyl)-3-pyridinyl]phenyl]peroxymethanol

[3-[6-amino-5-(4-aminophenyl)-3-pyridinyl]phenyl]peroxymethanol (PubChem CID 129135734) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is [3-[6-amino-5-(4-aminophenyl)-3-pyridinyl]phenyl]peroxymethanol.

Molecular Properties

Compound Name[3-[6-amino-5-(4-aminophenyl)-3-pyridinyl]phenyl]peroxymethanol
PubChem CID129135734
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name[3-[6-amino-5-(4-aminophenyl)-3-pyridinyl]phenyl]peroxymethanol
SMILESNc1ccc(-c2cc(-c3cccc(OOCO)c3)cnc2N)cc1
InChIInChI=1S/C18H17N3O3/c19-15-6-4-12(5-7-15)17-9-14(10-21-18(17)20)13-2-1-3-16(8-13)24-23-11-22/h1-10,22H,11,19H2,(H2,20,21)
InChIKeySWDIOXYHXKKMCD-UHFFFAOYSA-N
XLogP2.84
TPSA103.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-aminophenyl)peroxyphenyl]aniline
CID 89414518
[4-[6-amino-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]phenyl]methanesulfinic acid
CID 174667644
3-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide
CID 24821159
3-[6-amino-5-(3-phenoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25107397
3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 58238282
2-[3-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-2-methylpropanoic acid
CID 162663752
3-[6-amino-5-(furan-3-yl)-3-pyridinyl]benzamide
CID 25106949
3-[6-amino-5-(3,5-dimethoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 58238273
3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25106863
5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine
CID 22607574
2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol
CID 102155693
5-chloro-3-(4-phenoxyphenyl)pyridin-2-amine
CID 66748130

Frequently Asked Questions

What is the IUPAC name of [3-[6-amino-5-(4-aminophenyl)-3-pyridinyl]phenyl]peroxymethanol?
The IUPAC name of [3-[6-amino-5-(4-aminophenyl)-3-pyridinyl]phenyl]peroxymethanol (CID 129135734) is [3-[6-amino-5-(4-aminophenyl)-3-pyridinyl]phenyl]peroxymethanol.
What is the SMILES notation for [3-[6-amino-5-(4-aminophenyl)-3-pyridinyl]phenyl]peroxymethanol?
The canonical SMILES for [3-[6-amino-5-(4-aminophenyl)-3-pyridinyl]phenyl]peroxymethanol is Nc1ccc(-c2cc(-c3cccc(OOCO)c3)cnc2N)cc1.
What is the InChIKey of [3-[6-amino-5-(4-aminophenyl)-3-pyridinyl]phenyl]peroxymethanol?
The InChIKey is SWDIOXYHXKKMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c19-15-6-4-12(5-7-15)17-9-14(10-21-18(17)20)13-2-1-3-16(8-13)24-23-11-22/h1-10,22H,11,19H2,(H2,20,21).
What are the key properties of [3-[6-amino-5-(4-aminophenyl)-3-pyridinyl]phenyl]peroxymethanol?
[3-[6-amino-5-(4-aminophenyl)-3-pyridinyl]phenyl]peroxymethanol has a molecular weight of 323.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-amino-5-(4-aminophenyl)-3-pyridinyl]phenyl]peroxymethanol is sourced from PubChem (CID 129135734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).