N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(1-methylpyrazol-4-yl)acetamide

C26H24F2N4O4 — CID 118116640

IUPACN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cc2cnn(C)c2)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C26H24F2N4O4/c1-4-35-24-12-26(34)31(2)15-20(24)19-11-18(30-25(33)9-16-13-29-32(3)14-16)6-8-22(19)36-23-7-5-17(27)10-21(23)28/h5-8,10-15H,4,9H2,1-3H3,(H,30,33)
InChIKeyKLKAHUNPCYFQQH-UHFFFAOYSA-N
MW494.50 g/mol
LogP4.44
Rot. Bonds8

About N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(1-methylpyrazol-4-yl)acetamide

N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 118116640) has the molecular formula C26H24F2N4O4 and a molecular weight of 494.50 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID118116640
Molecular FormulaC26H24F2N4O4
Molecular Weight494.50 g/mol
Exact Mass494.18
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cc2cnn(C)c2)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C26H24F2N4O4/c1-4-35-24-12-26(34)31(2)15-20(24)19-11-18(30-25(33)9-16-13-29-32(3)14-16)6-8-22(19)36-23-7-5-17(27)10-21(23)28/h5-8,10-15H,4,9H2,1-3H3,(H,30,33)
InChIKeyKLKAHUNPCYFQQH-UHFFFAOYSA-N
XLogP4.44
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 118117023
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3,3-dimethylbutanamide
CID 90019267
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-pyrazol-1-ylacetamide
CID 118117060
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutanamide
CID 118116968
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-5-oxo-5-phenylpentanamide
CID 118116436
4-[[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)anilino]methyl]benzonitrile
CID 118116399
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 171706171
N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]propanamide
CID 171637997
N-[3-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropyl]-2-hydroxybenzamide
CID 135354281
N-[4-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutyl]-2-hydroxybenzamide
CID 135354271
2-(4-chloro-2-fluorophenyl)-N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]acetamide
CID 90418538
N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 90415904

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(1-methylpyrazol-4-yl)acetamide (CID 118116640) is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(1-methylpyrazol-4-yl)acetamide is CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cc2cnn(C)c2)ccc1Oc1ccc(F)cc1F.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is KLKAHUNPCYFQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O4/c1-4-35-24-12-26(34)31(2)15-20(24)19-11-18(30-25(33)9-16-13-29-32(3)14-16)6-8-22(19)36-23-7-5-17(27)10-21(23)28/h5-8,10-15H,4,9H2,1-3H3,(H,30,33).
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(1-methylpyrazol-4-yl)acetamide?
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 494.50 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 118116640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).