2-N,6-N-bis(4-aminophenyl)pyridine-2,6-diamine

C17H17N5 — CID 141294407

IUPAC2-N,6-N-bis(4-aminophenyl)pyridine-2,6-diamine
SMILESNc1ccc(Nc2cccc(Nc3ccc(N)cc3)n2)cc1
InChIInChI=1S/C17H17N5/c18-12-4-8-14(9-5-12)20-16-2-1-3-17(22-16)21-15-10-6-13(19)7-11-15/h1-11H,18-19H2,(H2,20,21,22)
InChIKeyFHESGXWCQUCXPM-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.73
Rot. Bonds4

About 2-N,6-N-bis(4-aminophenyl)pyridine-2,6-diamine

2-N,6-N-bis(4-aminophenyl)pyridine-2,6-diamine (PubChem CID 141294407) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-N,6-N-bis(4-aminophenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-bis(4-aminophenyl)pyridine-2,6-diamine
PubChem CID141294407
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name2-N,6-N-bis(4-aminophenyl)pyridine-2,6-diamine
SMILESNc1ccc(Nc2cccc(Nc3ccc(N)cc3)n2)cc1
InChIInChI=1S/C17H17N5/c18-12-4-8-14(9-5-12)20-16-2-1-3-17(22-16)21-15-10-6-13(19)7-11-15/h1-11H,18-19H2,(H2,20,21,22)
InChIKeyFHESGXWCQUCXPM-UHFFFAOYSA-N
XLogP3.73
TPSA88.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(4-aminophenyl)pyridine-2,6-diamine?
The IUPAC name of 2-N,6-N-bis(4-aminophenyl)pyridine-2,6-diamine (CID 141294407) is 2-N,6-N-bis(4-aminophenyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N,6-N-bis(4-aminophenyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N,6-N-bis(4-aminophenyl)pyridine-2,6-diamine is Nc1ccc(Nc2cccc(Nc3ccc(N)cc3)n2)cc1.
What is the InChIKey of 2-N,6-N-bis(4-aminophenyl)pyridine-2,6-diamine?
The InChIKey is FHESGXWCQUCXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c18-12-4-8-14(9-5-12)20-16-2-1-3-17(22-16)21-15-10-6-13(19)7-11-15/h1-11H,18-19H2,(H2,20,21,22).
What are the key properties of 2-N,6-N-bis(4-aminophenyl)pyridine-2,6-diamine?
2-N,6-N-bis(4-aminophenyl)pyridine-2,6-diamine has a molecular weight of 291.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(4-aminophenyl)pyridine-2,6-diamine is sourced from PubChem (CID 141294407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).