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

C24H26FN5O2 — CID 172589817

IUPACN-[4-[[5-fluoro-4-[3-(5-methyl-2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2ncc(F)c(-c3cccc(-n4cc(C)ccc4=O)c3)n2)CC1
InChIInChI=1S/C24H26FN5O2/c1-15-6-11-22(32)30(14-15)20-5-3-4-17(12-20)23-21(25)13-26-24(29-23)28-19-9-7-18(8-10-19)27-16(2)31/h3-6,11-14,18-19H,7-10H2,1-2H3,(H,27,31)(H,26,28,29)
InChIKeyDVSTWWRIIWDRCW-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.60
Rot. Bonds5

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

N-[4-[[5-fluoro-4-[3-(5-methyl-2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide (PubChem CID 172589817) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[4-[[5-fluoro-4-[3-(5-methyl-2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-fluoro-4-[3-(5-methyl-2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
PubChem CID172589817
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC NameN-[4-[[5-fluoro-4-[3-(5-methyl-2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2ncc(F)c(-c3cccc(-n4cc(C)ccc4=O)c3)n2)CC1
InChIInChI=1S/C24H26FN5O2/c1-15-6-11-22(32)30(14-15)20-5-3-4-17(12-20)23-21(25)13-26-24(29-23)28-19-9-7-18(8-10-19)27-16(2)31/h3-6,11-14,18-19H,7-10H2,1-2H3,(H,27,31)(H,26,28,29)
InChIKeyDVSTWWRIIWDRCW-UHFFFAOYSA-N
XLogP3.60
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.60
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-(5-methyl-2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[5-fluoro-4-[3-(5-methyl-2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide (CID 172589817) is N-[4-[[5-fluoro-4-[3-(5-methyl-2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[5-fluoro-4-[3-(5-methyl-2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[5-fluoro-4-[3-(5-methyl-2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(Nc2ncc(F)c(-c3cccc(-n4cc(C)ccc4=O)c3)n2)CC1.
What is the InChIKey of N-[4-[[5-fluoro-4-[3-(5-methyl-2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The InChIKey is DVSTWWRIIWDRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-15-6-11-22(32)30(14-15)20-5-3-4-17(12-20)23-21(25)13-26-24(29-23)28-19-9-7-18(8-10-19)27-16(2)31/h3-6,11-14,18-19H,7-10H2,1-2H3,(H,27,31)(H,26,28,29).
What are the key properties of N-[4-[[5-fluoro-4-[3-(5-methyl-2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
N-[4-[[5-fluoro-4-[3-(5-methyl-2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide has a molecular weight of 435.50 g/mol, XLogP of 3.60, 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-(5-methyl-2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 172589817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).