6-amino-5-(4-fluorobenzoyl)-1-(3-pyrrol-1-ylphenyl)pyridin-2-one

C22H16FN3O2 — CID 11501644

IUPAC6-amino-5-(4-fluorobenzoyl)-1-(3-pyrrol-1-ylphenyl)pyridin-2-one
SMILESNc1c(C(=O)c2ccc(F)cc2)ccc(=O)n1-c1cccc(-n2cccc2)c1
InChIInChI=1S/C22H16FN3O2/c23-16-8-6-15(7-9-16)21(28)19-10-11-20(27)26(22(19)24)18-5-3-4-17(14-18)25-12-1-2-13-25/h1-14H,24H2
InChIKeyLXFZVQLARMNBRB-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.58
Rot. Bonds4

About 6-amino-5-(4-fluorobenzoyl)-1-(3-pyrrol-1-ylphenyl)pyridin-2-one

6-amino-5-(4-fluorobenzoyl)-1-(3-pyrrol-1-ylphenyl)pyridin-2-one (PubChem CID 11501644) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is 6-amino-5-(4-fluorobenzoyl)-1-(3-pyrrol-1-ylphenyl)pyridin-2-one.

Molecular Properties

Compound Name6-amino-5-(4-fluorobenzoyl)-1-(3-pyrrol-1-ylphenyl)pyridin-2-one
PubChem CID11501644
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC Name6-amino-5-(4-fluorobenzoyl)-1-(3-pyrrol-1-ylphenyl)pyridin-2-one
SMILESNc1c(C(=O)c2ccc(F)cc2)ccc(=O)n1-c1cccc(-n2cccc2)c1
InChIInChI=1S/C22H16FN3O2/c23-16-8-6-15(7-9-16)21(28)19-10-11-20(27)26(22(19)24)18-5-3-4-17(14-18)25-12-1-2-13-25/h1-14H,24H2
InChIKeyLXFZVQLARMNBRB-UHFFFAOYSA-N
XLogP3.58
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(4-fluorobenzoyl)-1-(3-pyrrol-1-ylphenyl)pyridin-2-one?
The IUPAC name of 6-amino-5-(4-fluorobenzoyl)-1-(3-pyrrol-1-ylphenyl)pyridin-2-one (CID 11501644) is 6-amino-5-(4-fluorobenzoyl)-1-(3-pyrrol-1-ylphenyl)pyridin-2-one.
What is the SMILES notation for 6-amino-5-(4-fluorobenzoyl)-1-(3-pyrrol-1-ylphenyl)pyridin-2-one?
The canonical SMILES for 6-amino-5-(4-fluorobenzoyl)-1-(3-pyrrol-1-ylphenyl)pyridin-2-one is Nc1c(C(=O)c2ccc(F)cc2)ccc(=O)n1-c1cccc(-n2cccc2)c1.
What is the InChIKey of 6-amino-5-(4-fluorobenzoyl)-1-(3-pyrrol-1-ylphenyl)pyridin-2-one?
The InChIKey is LXFZVQLARMNBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c23-16-8-6-15(7-9-16)21(28)19-10-11-20(27)26(22(19)24)18-5-3-4-17(14-18)25-12-1-2-13-25/h1-14H,24H2.
What are the key properties of 6-amino-5-(4-fluorobenzoyl)-1-(3-pyrrol-1-ylphenyl)pyridin-2-one?
6-amino-5-(4-fluorobenzoyl)-1-(3-pyrrol-1-ylphenyl)pyridin-2-one has a molecular weight of 373.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(4-fluorobenzoyl)-1-(3-pyrrol-1-ylphenyl)pyridin-2-one is sourced from PubChem (CID 11501644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).