1-amino-4-imidazol-1-yl-6-pyridin-2-ylpyridin-2-one

C13H11N5O — CID 142677413

IUPAC1-amino-4-imidazol-1-yl-6-pyridin-2-ylpyridin-2-one
SMILESNn1c(-c2ccccn2)cc(-n2ccnc2)cc1=O
InChIInChI=1S/C13H11N5O/c14-18-12(11-3-1-2-4-16-11)7-10(8-13(18)19)17-6-5-15-9-17/h1-9H,14H2
InChIKeyQVWYWFJCLWATPR-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.81
Rot. Bonds2

About 1-amino-4-imidazol-1-yl-6-pyridin-2-ylpyridin-2-one

1-amino-4-imidazol-1-yl-6-pyridin-2-ylpyridin-2-one (PubChem CID 142677413) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-amino-4-imidazol-1-yl-6-pyridin-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-amino-4-imidazol-1-yl-6-pyridin-2-ylpyridin-2-one
PubChem CID142677413
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name1-amino-4-imidazol-1-yl-6-pyridin-2-ylpyridin-2-one
SMILESNn1c(-c2ccccn2)cc(-n2ccnc2)cc1=O
InChIInChI=1S/C13H11N5O/c14-18-12(11-3-1-2-4-16-11)7-10(8-13(18)19)17-6-5-15-9-17/h1-9H,14H2
InChIKeyQVWYWFJCLWATPR-UHFFFAOYSA-N
XLogP0.81
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one
CID 142677377
1-amino-6-(3-ethoxyphenyl)-4-imidazol-1-ylpyridin-2-one
CID 142677379
1-amino-6-[3-(difluoromethoxy)phenyl]-4-imidazol-1-ylpyridin-2-one
CID 142677395
4-(1-amino-4-imidazol-1-yl-6-oxo-2-pyridinyl)cyclohexane-1-carbonitrile
CID 10062372
4-(3-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one
CID 139635569
1-naphthalen-2-ylimidazole
CID 23644748
1-phenyl-6-pyridin-2-ylpyridin-2-one
CID 175196547
2-imidazol-1-ylpyridine-3-carbaldehyde
CID 55253673
3-imidazol-1-ylpyridine;dihydrochloride
CID 91642740
5-imidazol-1-yl-2-benzofuran-1,3-dione
CID 174269134
3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine
CID 91579296
imidazol-1-yl-(4-pyridin-2-ylphenyl)methanone
CID 110464843

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-imidazol-1-yl-6-pyridin-2-ylpyridin-2-one?
The IUPAC name of 1-amino-4-imidazol-1-yl-6-pyridin-2-ylpyridin-2-one (CID 142677413) is 1-amino-4-imidazol-1-yl-6-pyridin-2-ylpyridin-2-one.
What is the SMILES notation for 1-amino-4-imidazol-1-yl-6-pyridin-2-ylpyridin-2-one?
The canonical SMILES for 1-amino-4-imidazol-1-yl-6-pyridin-2-ylpyridin-2-one is Nn1c(-c2ccccn2)cc(-n2ccnc2)cc1=O.
What is the InChIKey of 1-amino-4-imidazol-1-yl-6-pyridin-2-ylpyridin-2-one?
The InChIKey is QVWYWFJCLWATPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-18-12(11-3-1-2-4-16-11)7-10(8-13(18)19)17-6-5-15-9-17/h1-9H,14H2.
What are the key properties of 1-amino-4-imidazol-1-yl-6-pyridin-2-ylpyridin-2-one?
1-amino-4-imidazol-1-yl-6-pyridin-2-ylpyridin-2-one has a molecular weight of 253.27 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-imidazol-1-yl-6-pyridin-2-ylpyridin-2-one is sourced from PubChem (CID 142677413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).