2-[4-(4-cyano-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]acetamide

C18H18FN5O — CID 91595542

IUPAC2-[4-(4-cyano-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]acetamide
SMILESN#Cc1ccc(-c2cc(N3CCCCC3)nc(CC(N)=O)n2)cc1F
InChIInChI=1S/C18H18FN5O/c19-14-8-12(4-5-13(14)11-20)15-9-18(24-6-2-1-3-7-24)23-17(22-15)10-16(21)25/h4-5,8-9H,1-3,6-7,10H2,(H2,21,25)
InChIKeyBFXYNIMKQQYTPL-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.17
Rot. Bonds4

About 2-[4-(4-cyano-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]acetamide

2-[4-(4-cyano-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]acetamide (PubChem CID 91595542) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[4-(4-cyano-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-cyano-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]acetamide
PubChem CID91595542
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name2-[4-(4-cyano-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]acetamide
SMILESN#Cc1ccc(-c2cc(N3CCCCC3)nc(CC(N)=O)n2)cc1F
InChIInChI=1S/C18H18FN5O/c19-14-8-12(4-5-13(14)11-20)15-9-18(24-6-2-1-3-7-24)23-17(22-15)10-16(21)25/h4-5,8-9H,1-3,6-7,10H2,(H2,21,25)
InChIKeyBFXYNIMKQQYTPL-UHFFFAOYSA-N
XLogP2.17
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyano-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]acetamide?
The IUPAC name of 2-[4-(4-cyano-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]acetamide (CID 91595542) is 2-[4-(4-cyano-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-cyano-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-cyano-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]acetamide is N#Cc1ccc(-c2cc(N3CCCCC3)nc(CC(N)=O)n2)cc1F.
What is the InChIKey of 2-[4-(4-cyano-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]acetamide?
The InChIKey is BFXYNIMKQQYTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-14-8-12(4-5-13(14)11-20)15-9-18(24-6-2-1-3-7-24)23-17(22-15)10-16(21)25/h4-5,8-9H,1-3,6-7,10H2,(H2,21,25).
What are the key properties of 2-[4-(4-cyano-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]acetamide?
2-[4-(4-cyano-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]acetamide has a molecular weight of 339.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyano-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]acetamide is sourced from PubChem (CID 91595542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).