1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one

C15H14N4O2 — CID 142677377

IUPAC1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one
SMILESCOc1cccc(-c2cc(-n3ccnc3)cc(=O)n2N)c1
InChIInChI=1S/C15H14N4O2/c1-21-13-4-2-3-11(7-13)14-8-12(9-15(20)19(14)16)18-6-5-17-10-18/h2-10H,16H2,1H3
InChIKeyQMEWQHHMVRTZBQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.42
Rot. Bonds3

About 1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one

1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one (PubChem CID 142677377) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one
PubChem CID142677377
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one
SMILESCOc1cccc(-c2cc(-n3ccnc3)cc(=O)n2N)c1
InChIInChI=1S/C15H14N4O2/c1-21-13-4-2-3-11(7-13)14-8-12(9-15(20)19(14)16)18-6-5-17-10-18/h2-10H,16H2,1H3
InChIKeyQMEWQHHMVRTZBQ-UHFFFAOYSA-N
XLogP1.42
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one?
The IUPAC name of 1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one (CID 142677377) is 1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one.
What is the SMILES notation for 1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one?
The canonical SMILES for 1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one is COc1cccc(-c2cc(-n3ccnc3)cc(=O)n2N)c1.
What is the InChIKey of 1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one?
The InChIKey is QMEWQHHMVRTZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-13-4-2-3-11(7-13)14-8-12(9-15(20)19(14)16)18-6-5-17-10-18/h2-10H,16H2,1H3.
What are the key properties of 1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one?
1-amino-4-imidazol-1-yl-6-(3-methoxyphenyl)pyridin-2-one has a molecular weight of 282.30 g/mol, XLogP of 1.42, 3 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-(3-methoxyphenyl)pyridin-2-one is sourced from PubChem (CID 142677377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).