1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone

C12H11N3O — CID 116613912

IUPAC1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone
SMILESNc1cccnc1C(=O)Cc1ccccn1
InChIInChI=1S/C12H11N3O/c13-10-5-3-7-15-12(10)11(16)8-9-4-1-2-6-14-9/h1-7H,8,13H2
InChIKeyOCJCPQFTGXQJOZ-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.48
Rot. Bonds3

About 1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone

1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone (PubChem CID 116613912) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone
PubChem CID116613912
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone
SMILESNc1cccnc1C(=O)Cc1ccccn1
InChIInChI=1S/C12H11N3O/c13-10-5-3-7-15-12(10)11(16)8-9-4-1-2-6-14-9/h1-7H,8,13H2
InChIKeyOCJCPQFTGXQJOZ-UHFFFAOYSA-N
XLogP1.48
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone
CID 116613939
1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116613745
1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
1-(3-amino-2-pyridinyl)-2-(4-tert-butylphenyl)ethanone
CID 116613833
molecular hydrogen;2-pyridin-2-ylacetamide
CID 145224814
1-(3-amino-2-pyridinyl)pent-4-yn-1-one
CID 116613875
CID 131857449
CID 131857449
1-(2-iodophenyl)-2-pyridin-2-ylethanone
CID 43118474
1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone
CID 116597491
1-(3-amino-2-pyridinyl)-2-cyclobutylethanone
CID 116613726
pyridin-2-ylmethyl 2-(2-aminophenyl)acetate
CID 61320697
1-(3-amino-2-pyridinyl)-4-methylsulfonylbutan-1-one
CID 116613725

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone (CID 116613912) is 1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone is Nc1cccnc1C(=O)Cc1ccccn1.
What is the InChIKey of 1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone?
The InChIKey is OCJCPQFTGXQJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-10-5-3-7-15-12(10)11(16)8-9-4-1-2-6-14-9/h1-7H,8,13H2.
What are the key properties of 1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone?
1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone has a molecular weight of 213.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 116613912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).