3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide

C30H28F2N6O5 — CID 164612615

IUPAC3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)N4CCCC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H28F2N6O5/c1-18(2)37-17-23(28(40)38(30(37)42)21-8-5-19(31)6-9-21)27(39)34-20-7-10-25(24(32)15-20)43-22-11-12-33-26(16-22)35-29(41)36-13-3-4-14-36/h5-12,15-18H,3-4,13-14H2,1-2H3,(H,34,39)(H,33,35,41)
InChIKeyIPDSWKWRFXBIMW-UHFFFAOYSA-N
MW590.59 g/mol
LogP4.93
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide

3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 164612615) has the molecular formula C30H28F2N6O5 and a molecular weight of 590.59 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
PubChem CID164612615
Molecular FormulaC30H28F2N6O5
Molecular Weight590.59 g/mol
Exact Mass590.21
IUPAC Name3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)N4CCCC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H28F2N6O5/c1-18(2)37-17-23(28(40)38(30(37)42)21-8-5-19(31)6-9-21)27(39)34-20-7-10-25(24(32)15-20)43-22-11-12-33-26(16-22)35-29(41)36-13-3-4-14-36/h5-12,15-18H,3-4,13-14H2,1-2H3,(H,34,39)(H,33,35,41)
InChIKeyIPDSWKWRFXBIMW-UHFFFAOYSA-N
XLogP4.93
TPSA127.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.59
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide (CID 164612615) is 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide is CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)N4CCCC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is IPDSWKWRFXBIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N6O5/c1-18(2)37-17-23(28(40)38(30(37)42)21-8-5-19(31)6-9-21)27(39)34-20-7-10-25(24(32)15-20)43-22-11-12-33-26(16-22)35-29(41)36-13-3-4-14-36/h5-12,15-18H,3-4,13-14H2,1-2H3,(H,34,39)(H,33,35,41).
What are the key properties of 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 590.59 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 164612615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).