2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone

C12H12N4O — CID 116613939

IUPAC2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone
SMILESNc1cccnc1C(=O)Cc1cccnc1N
InChIInChI=1S/C12H12N4O/c13-9-4-2-5-15-11(9)10(17)7-8-3-1-6-16-12(8)14/h1-6H,7,13H2,(H2,14,16)
InChIKeyQHRDIJLHKKSVJB-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.07
Rot. Bonds3

About 2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone

2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone (PubChem CID 116613939) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone
PubChem CID116613939
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone
SMILESNc1cccnc1C(=O)Cc1cccnc1N
InChIInChI=1S/C12H12N4O/c13-9-4-2-5-15-11(9)10(17)7-8-3-1-6-16-12(8)14/h1-6H,7,13H2,(H2,14,16)
InChIKeyQHRDIJLHKKSVJB-UHFFFAOYSA-N
XLogP1.07
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-3-pyridinyl)-1-(3-chloro-2-pyridinyl)ethanone
CID 103443047
1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone
CID 116613912
1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116613745
2-(2-amino-3-pyridinyl)acetohydrazide
CID 130616635
1-(3-amino-2-pyridinyl)-2-(4-tert-butylphenyl)ethanone
CID 116613833
2-(2-amino-3-pyridinyl)acetohydrazide;hydrochloride
CID 130616634
1-(3-amino-2-pyridinyl)pent-4-yn-1-one
CID 116613875
2-(2-amino-3-pyridinyl)-N-methylacetamide;hydrochloride
CID 130695658
1-(3-amino-2-pyridinyl)-2-cyclobutylethanone
CID 116613726
1-(3-amino-2-pyridinyl)-4-methylsulfonylbutan-1-one
CID 116613725
(E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one
CID 103453454
4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one
CID 116564663

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone?
The IUPAC name of 2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone (CID 116613939) is 2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone is Nc1cccnc1C(=O)Cc1cccnc1N.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone?
The InChIKey is QHRDIJLHKKSVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-9-4-2-5-15-11(9)10(17)7-8-3-1-6-16-12(8)14/h1-6H,7,13H2,(H2,14,16).
What are the key properties of 2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone?
2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone has a molecular weight of 228.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone is sourced from PubChem (CID 116613939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).