(4-aminophenyl)-(2-amino-3-pyridinyl)methanone

C12H11N3O — CID 3008378

IUPAC(4-aminophenyl)-(2-amino-3-pyridinyl)methanone
SMILESNc1ccc(C(=O)c2cccnc2N)cc1
InChIInChI=1S/C12H11N3O/c13-9-5-3-8(4-6-9)11(16)10-2-1-7-15-12(10)14/h1-7H,13H2,(H2,14,15)
InChIKeyMXEXOZIIVFOUAC-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.48
Rot. Bonds2

About (4-aminophenyl)-(2-amino-3-pyridinyl)methanone

(4-aminophenyl)-(2-amino-3-pyridinyl)methanone (PubChem CID 3008378) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is (4-aminophenyl)-(2-amino-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(2-amino-3-pyridinyl)methanone
PubChem CID3008378
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name(4-aminophenyl)-(2-amino-3-pyridinyl)methanone
SMILESNc1ccc(C(=O)c2cccnc2N)cc1
InChIInChI=1S/C12H11N3O/c13-9-5-3-8(4-6-9)11(16)10-2-1-7-15-12(10)14/h1-7H,13H2,(H2,14,15)
InChIKeyMXEXOZIIVFOUAC-UHFFFAOYSA-N
XLogP1.48
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(2-amino-3-pyridinyl)methanone?
The IUPAC name of (4-aminophenyl)-(2-amino-3-pyridinyl)methanone (CID 3008378) is (4-aminophenyl)-(2-amino-3-pyridinyl)methanone.
What is the SMILES notation for (4-aminophenyl)-(2-amino-3-pyridinyl)methanone?
The canonical SMILES for (4-aminophenyl)-(2-amino-3-pyridinyl)methanone is Nc1ccc(C(=O)c2cccnc2N)cc1.
What is the InChIKey of (4-aminophenyl)-(2-amino-3-pyridinyl)methanone?
The InChIKey is MXEXOZIIVFOUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-9-5-3-8(4-6-9)11(16)10-2-1-7-15-12(10)14/h1-7H,13H2,(H2,14,15).
What are the key properties of (4-aminophenyl)-(2-amino-3-pyridinyl)methanone?
(4-aminophenyl)-(2-amino-3-pyridinyl)methanone has a molecular weight of 213.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(2-amino-3-pyridinyl)methanone is sourced from PubChem (CID 3008378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).