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

C12H11N3O — CID 116548721

IUPAC(4-aminophenyl)-(4-amino-3-pyridinyl)methanone
SMILESNc1ccc(C(=O)c2cnccc2N)cc1
InChIInChI=1S/C12H11N3O/c13-9-3-1-8(2-4-9)12(16)10-7-15-6-5-11(10)14/h1-7H,13H2,(H2,14,15)
InChIKeyQQNKAQYGCFPOLK-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.48
Rot. Bonds2

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

(4-aminophenyl)-(4-amino-3-pyridinyl)methanone (PubChem CID 116548721) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is (4-aminophenyl)-(4-amino-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(4-amino-3-pyridinyl)methanone
PubChem CID116548721
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name(4-aminophenyl)-(4-amino-3-pyridinyl)methanone
SMILESNc1ccc(C(=O)c2cnccc2N)cc1
InChIInChI=1S/C12H11N3O/c13-9-3-1-8(2-4-9)12(16)10-7-15-6-5-11(10)14/h1-7H,13H2,(H2,14,15)
InChIKeyQQNKAQYGCFPOLK-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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Related Compounds

(4-amino-3-pyridinyl)-(4-fluorophenyl)methanone
CID 11074797
[4-(aminomethyl)phenyl]-(4-amino-3-pyridinyl)methanone
CID 116548154
(4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone
CID 82809025
(4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone
CID 114329651
4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone
CID 159414201
(4-aminophenyl)-isoquinolin-5-ylmethanone
CID 116548861
[3-amino-4-(pyridine-4-carbonyl)phenyl]-pyridin-4-ylmethanone
CID 176900459
(4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81255698
(3-amino-4-pyridinyl)-pyridin-3-ylmethanone
CID 53414422
(3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 53414396
4-(4-fluorobenzoyl)pyridine-3-carboxylic acid
CID 10752867
methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate
CID 110861759

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(4-amino-3-pyridinyl)methanone?
The IUPAC name of (4-aminophenyl)-(4-amino-3-pyridinyl)methanone (CID 116548721) is (4-aminophenyl)-(4-amino-3-pyridinyl)methanone.
What is the SMILES notation for (4-aminophenyl)-(4-amino-3-pyridinyl)methanone?
The canonical SMILES for (4-aminophenyl)-(4-amino-3-pyridinyl)methanone is Nc1ccc(C(=O)c2cnccc2N)cc1.
What is the InChIKey of (4-aminophenyl)-(4-amino-3-pyridinyl)methanone?
The InChIKey is QQNKAQYGCFPOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-9-3-1-8(2-4-9)12(16)10-7-15-6-5-11(10)14/h1-7H,13H2,(H2,14,15).
What are the key properties of (4-aminophenyl)-(4-amino-3-pyridinyl)methanone?
(4-aminophenyl)-(4-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)-(4-amino-3-pyridinyl)methanone is sourced from PubChem (CID 116548721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).