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

C21H22F2N4O3 — CID 50914363

IUPAC2-[4-(2,6-difluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide
SMILESCC(C)CC(C(=O)Nc1ccn(C)n1)n1ccc(Oc2c(F)cccc2F)cc1=O
InChIInChI=1S/C21H22F2N4O3/c1-13(2)11-17(21(29)24-18-8-9-26(3)25-18)27-10-7-14(12-19(27)28)30-20-15(22)5-4-6-16(20)23/h4-10,12-13,17H,11H2,1-3H3,(H,24,25,29)
InChIKeyMDHSTVMWGBFBLV-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.88
Rot. Bonds7

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

2-[4-(2,6-difluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide (PubChem CID 50914363) has the molecular formula C21H22F2N4O3 and a molecular weight of 416.43 g/mol. Its IUPAC name is 2-[4-(2,6-difluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide.

Molecular Properties

Compound Name2-[4-(2,6-difluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide
PubChem CID50914363
Molecular FormulaC21H22F2N4O3
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC Name2-[4-(2,6-difluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide
SMILESCC(C)CC(C(=O)Nc1ccn(C)n1)n1ccc(Oc2c(F)cccc2F)cc1=O
InChIInChI=1S/C21H22F2N4O3/c1-13(2)11-17(21(29)24-18-8-9-26(3)25-18)27-10-7-14(12-19(27)28)30-20-15(22)5-4-6-16(20)23/h4-10,12-13,17H,11H2,1-3H3,(H,24,25,29)
InChIKeyMDHSTVMWGBFBLV-UHFFFAOYSA-N
XLogP3.88
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-difluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide?
The IUPAC name of 2-[4-(2,6-difluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide (CID 50914363) is 2-[4-(2,6-difluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide.
What is the SMILES notation for 2-[4-(2,6-difluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide?
The canonical SMILES for 2-[4-(2,6-difluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide is CC(C)CC(C(=O)Nc1ccn(C)n1)n1ccc(Oc2c(F)cccc2F)cc1=O.
What is the InChIKey of 2-[4-(2,6-difluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide?
The InChIKey is MDHSTVMWGBFBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O3/c1-13(2)11-17(21(29)24-18-8-9-26(3)25-18)27-10-7-14(12-19(27)28)30-20-15(22)5-4-6-16(20)23/h4-10,12-13,17H,11H2,1-3H3,(H,24,25,29).
What are the key properties of 2-[4-(2,6-difluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide?
2-[4-(2,6-difluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide has a molecular weight of 416.43 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-difluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide is sourced from PubChem (CID 50914363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).