2-(4-aminophenoxy)pyridine-4-carboxamide

C12H11N3O2 — CID 54909039

IUPAC2-(4-aminophenoxy)pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(Oc2ccc(N)cc2)c1
InChIInChI=1S/C12H11N3O2/c13-9-1-3-10(4-2-9)17-11-7-8(12(14)16)5-6-15-11/h1-7H,13H2,(H2,14,16)
InChIKeySHBWFGLZXVMGQP-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.55
Rot. Bonds3

About 2-(4-aminophenoxy)pyridine-4-carboxamide

2-(4-aminophenoxy)pyridine-4-carboxamide (PubChem CID 54909039) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(4-aminophenoxy)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)pyridine-4-carboxamide
PubChem CID54909039
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-(4-aminophenoxy)pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(Oc2ccc(N)cc2)c1
InChIInChI=1S/C12H11N3O2/c13-9-1-3-10(4-2-9)17-11-7-8(12(14)16)5-6-15-11/h1-7H,13H2,(H2,14,16)
InChIKeySHBWFGLZXVMGQP-UHFFFAOYSA-N
XLogP1.55
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-aminophenoxy)pyridine-4-carboxamide?
The IUPAC name of 2-(4-aminophenoxy)pyridine-4-carboxamide (CID 54909039) is 2-(4-aminophenoxy)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-aminophenoxy)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-aminophenoxy)pyridine-4-carboxamide is NC(=O)c1ccnc(Oc2ccc(N)cc2)c1.
What is the InChIKey of 2-(4-aminophenoxy)pyridine-4-carboxamide?
The InChIKey is SHBWFGLZXVMGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-9-1-3-10(4-2-9)17-11-7-8(12(14)16)5-6-15-11/h1-7H,13H2,(H2,14,16).
What are the key properties of 2-(4-aminophenoxy)pyridine-4-carboxamide?
2-(4-aminophenoxy)pyridine-4-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)pyridine-4-carboxamide is sourced from PubChem (CID 54909039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).