2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanamide;methyl 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoate;molecular hydrogen

C29H38FN3O4 — CID 153352679

IUPAC2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanamide;methyl 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoate;molecular hydrogen
SMILESCOC(=O)CCc1cncc(-c2c(C)cccc2C)c1.Cc1cc(=O)n(C(CC(C)C)C(N)=O)cc1F.[H][H]
InChIInChI=1S/C17H19NO2.C12H17FN2O2.H2/c1-12-5-4-6-13(2)17(12)15-9-14(10-18-11-15)7-8-16(19)20-3;1-7(2)4-10(12(14)17)15-6-9(13)8(3)5-11(15)16;/h4-6,9-11H,7-8H2,1-3H3;5-7,10H,4H2,1-3H3,(H2,14,17);1H
InChIKeyOAYCCEWETGXZAD-UHFFFAOYSA-N
MW511.64 g/mol
LogP5.09
Rot. Bonds8

About 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanamide;methyl 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoate;molecular hydrogen

2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanamide;methyl 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoate;molecular hydrogen (PubChem CID 153352679) has the molecular formula C29H38FN3O4 and a molecular weight of 511.64 g/mol. Its IUPAC name is 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanamide;methyl 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoate;molecular hydrogen.

Molecular Properties

Compound Name2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanamide;methyl 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoate;molecular hydrogen
PubChem CID153352679
Molecular FormulaC29H38FN3O4
Molecular Weight511.64 g/mol
Exact Mass511.28
IUPAC Name2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanamide;methyl 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoate;molecular hydrogen
SMILESCOC(=O)CCc1cncc(-c2c(C)cccc2C)c1.Cc1cc(=O)n(C(CC(C)C)C(N)=O)cc1F.[H][H]
InChIInChI=1S/C17H19NO2.C12H17FN2O2.H2/c1-12-5-4-6-13(2)17(12)15-9-14(10-18-11-15)7-8-16(19)20-3;1-7(2)4-10(12(14)17)15-6-9(13)8(3)5-11(15)16;/h4-6,9-11H,7-8H2,1-3H3;5-7,10H,4H2,1-3H3,(H2,14,17);1H
InChIKeyOAYCCEWETGXZAD-UHFFFAOYSA-N
XLogP5.09
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.64
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanamide;methyl 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoate;molecular hydrogen?
The IUPAC name of 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanamide;methyl 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoate;molecular hydrogen (CID 153352679) is 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanamide;methyl 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoate;molecular hydrogen.
What is the SMILES notation for 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanamide;methyl 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoate;molecular hydrogen?
The canonical SMILES for 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanamide;methyl 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoate;molecular hydrogen is COC(=O)CCc1cncc(-c2c(C)cccc2C)c1.Cc1cc(=O)n(C(CC(C)C)C(N)=O)cc1F.[H][H].
What is the InChIKey of 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanamide;methyl 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoate;molecular hydrogen?
The InChIKey is OAYCCEWETGXZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2.C12H17FN2O2.H2/c1-12-5-4-6-13(2)17(12)15-9-14(10-18-11-15)7-8-16(19)20-3;1-7(2)4-10(12(14)17)15-6-9(13)8(3)5-11(15)16;/h4-6,9-11H,7-8H2,1-3H3;5-7,10H,4H2,1-3H3,(H2,14,17);1H.
What are the key properties of 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanamide;methyl 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoate;molecular hydrogen?
2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanamide;methyl 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoate;molecular hydrogen has a molecular weight of 511.64 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanamide;methyl 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoate;molecular hydrogen is sourced from PubChem (CID 153352679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).