6-amino-5-(2,4-difluoro-5-methylbenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one

C21H18F2N2O3 — CID 143854829

IUPAC6-amino-5-(2,4-difluoro-5-methylbenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one
SMILESCc1cc(C(=O)c2ccc(=O)n(-c3ccc(CCO)cc3)c2N)c(F)cc1F
InChIInChI=1S/C21H18F2N2O3/c1-12-10-16(18(23)11-17(12)22)20(28)15-6-7-19(27)25(21(15)24)14-4-2-13(3-5-14)8-9-26/h2-7,10-11,26H,8-9,24H2,1H3
InChIKeyNKZWPLBOKDDCQU-UHFFFAOYSA-N
MW384.38 g/mol
LogP2.77
Rot. Bonds5

About 6-amino-5-(2,4-difluoro-5-methylbenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one

6-amino-5-(2,4-difluoro-5-methylbenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one (PubChem CID 143854829) has the molecular formula C21H18F2N2O3 and a molecular weight of 384.38 g/mol. Its IUPAC name is 6-amino-5-(2,4-difluoro-5-methylbenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name6-amino-5-(2,4-difluoro-5-methylbenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one
PubChem CID143854829
Molecular FormulaC21H18F2N2O3
Molecular Weight384.38 g/mol
Exact Mass384.13
IUPAC Name6-amino-5-(2,4-difluoro-5-methylbenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one
SMILESCc1cc(C(=O)c2ccc(=O)n(-c3ccc(CCO)cc3)c2N)c(F)cc1F
InChIInChI=1S/C21H18F2N2O3/c1-12-10-16(18(23)11-17(12)22)20(28)15-6-7-19(27)25(21(15)24)14-4-2-13(3-5-14)8-9-26/h2-7,10-11,26H,8-9,24H2,1H3
InChIKeyNKZWPLBOKDDCQU-UHFFFAOYSA-N
XLogP2.77
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

acetaldehyde;6-amino-5-(5-amino-2,4-difluorobenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one;methane
CID 143854868
3-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]propyl acetate
CID 143854875
2-[[4-[2-amino-3-(2-fluoro-4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]methylamino]-4-methylpentanoic acid
CID 143574594
6-amino-5-(4-fluorobenzoyl)-1-[3-(hydroxymethyl)phenyl]pyridin-2-one
CID 11660092
(2,4-difluoro-5-methylphenyl)-(2,4-difluorophenyl)methanone
CID 79731832
2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethyl acetate
CID 58138996
(2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749848
1-[4-(2-hydroxyethyl)phenyl]-2,6-dimethylpyridin-4-one
CID 79884679
(2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79733206
6-amino-1-(4-amino-3,5-difluorophenyl)-5-(4-fluorobenzoyl)pyridin-2-one
CID 11639055
6-amino-5-(4-fluorobenzoyl)-1-(4-methoxyphenyl)pyridin-2-one
CID 58608709
(5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 102707053

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2,4-difluoro-5-methylbenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one?
The IUPAC name of 6-amino-5-(2,4-difluoro-5-methylbenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one (CID 143854829) is 6-amino-5-(2,4-difluoro-5-methylbenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 6-amino-5-(2,4-difluoro-5-methylbenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one?
The canonical SMILES for 6-amino-5-(2,4-difluoro-5-methylbenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one is Cc1cc(C(=O)c2ccc(=O)n(-c3ccc(CCO)cc3)c2N)c(F)cc1F.
What is the InChIKey of 6-amino-5-(2,4-difluoro-5-methylbenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one?
The InChIKey is NKZWPLBOKDDCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3/c1-12-10-16(18(23)11-17(12)22)20(28)15-6-7-19(27)25(21(15)24)14-4-2-13(3-5-14)8-9-26/h2-7,10-11,26H,8-9,24H2,1H3.
What are the key properties of 6-amino-5-(2,4-difluoro-5-methylbenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one?
6-amino-5-(2,4-difluoro-5-methylbenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one has a molecular weight of 384.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2,4-difluoro-5-methylbenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 143854829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).