N-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide

C23H24FN5O2 — CID 172591257

IUPACN-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2ncc(F)c(-c3cccc(-n4ccccc4=O)c3)n2)CC1
InChIInChI=1S/C23H24FN5O2/c1-15(30)26-17-8-10-18(11-9-17)27-23-25-14-20(24)22(28-23)16-5-4-6-19(13-16)29-12-3-2-7-21(29)31/h2-7,12-14,17-18H,8-11H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyOZMWABNIFWLLBP-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.29
Rot. Bonds5

About N-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide

N-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide (PubChem CID 172591257) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
PubChem CID172591257
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC NameN-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2ncc(F)c(-c3cccc(-n4ccccc4=O)c3)n2)CC1
InChIInChI=1S/C23H24FN5O2/c1-15(30)26-17-8-10-18(11-9-17)27-23-25-14-20(24)22(28-23)16-5-4-6-19(13-16)29-12-3-2-7-21(29)31/h2-7,12-14,17-18H,8-11H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyOZMWABNIFWLLBP-UHFFFAOYSA-N
XLogP3.29
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide (CID 172591257) is N-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(Nc2ncc(F)c(-c3cccc(-n4ccccc4=O)c3)n2)CC1.
What is the InChIKey of N-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The InChIKey is OZMWABNIFWLLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-15(30)26-17-8-10-18(11-9-17)27-23-25-14-20(24)22(28-23)16-5-4-6-19(13-16)29-12-3-2-7-21(29)31/h2-7,12-14,17-18H,8-11H2,1H3,(H,26,30)(H,25,27,28).
What are the key properties of N-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
N-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide has a molecular weight of 421.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 172591257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).