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

C21H23FN4O3 — CID 50914360

IUPAC2-[4-(3-fluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide
SMILESCC(C)CC(C(=O)Nc1ccn(C)n1)n1ccc(Oc2cccc(F)c2)cc1=O
InChIInChI=1S/C21H23FN4O3/c1-14(2)11-18(21(28)23-19-8-9-25(3)24-19)26-10-7-17(13-20(26)27)29-16-6-4-5-15(22)12-16/h4-10,12-14,18H,11H2,1-3H3,(H,23,24,28)
InChIKeyAPCRRVBRBCFVOC-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.74
Rot. Bonds7

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

2-[4-(3-fluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide (PubChem CID 50914360) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-[4-(3-fluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide.

Molecular Properties

Compound Name2-[4-(3-fluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide
PubChem CID50914360
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name2-[4-(3-fluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide
SMILESCC(C)CC(C(=O)Nc1ccn(C)n1)n1ccc(Oc2cccc(F)c2)cc1=O
InChIInChI=1S/C21H23FN4O3/c1-14(2)11-18(21(28)23-19-8-9-25(3)24-19)26-10-7-17(13-20(26)27)29-16-6-4-5-15(22)12-16/h4-10,12-14,18H,11H2,1-3H3,(H,23,24,28)
InChIKeyAPCRRVBRBCFVOC-UHFFFAOYSA-N
XLogP3.74
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide?
The IUPAC name of 2-[4-(3-fluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide (CID 50914360) is 2-[4-(3-fluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide.
What is the SMILES notation for 2-[4-(3-fluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide?
The canonical SMILES for 2-[4-(3-fluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide is CC(C)CC(C(=O)Nc1ccn(C)n1)n1ccc(Oc2cccc(F)c2)cc1=O.
What is the InChIKey of 2-[4-(3-fluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide?
The InChIKey is APCRRVBRBCFVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-14(2)11-18(21(28)23-19-8-9-25(3)24-19)26-10-7-17(13-20(26)27)29-16-6-4-5-15(22)12-16/h4-10,12-14,18H,11H2,1-3H3,(H,23,24,28).
What are the key properties of 2-[4-(3-fluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide?
2-[4-(3-fluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide has a molecular weight of 398.44 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenoxy)-2-oxo-1-pyridinyl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide is sourced from PubChem (CID 50914360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).