2-(2-ethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide

C20H25FN4O — CID 109260032

IUPAC2-(2-ethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
SMILESCCC1CCCCN1c1ncc(C(=O)NCCc2ccc(F)cc2)cn1
InChIInChI=1S/C20H25FN4O/c1-2-18-5-3-4-12-25(18)20-23-13-16(14-24-20)19(26)22-11-10-15-6-8-17(21)9-7-15/h6-9,13-14,18H,2-5,10-12H2,1H3,(H,22,26)
InChIKeyXLKHNKAXXFPFIY-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.36
Rot. Bonds6

About 2-(2-ethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide

2-(2-ethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide (PubChem CID 109260032) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
PubChem CID109260032
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name2-(2-ethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
SMILESCCC1CCCCN1c1ncc(C(=O)NCCc2ccc(F)cc2)cn1
InChIInChI=1S/C20H25FN4O/c1-2-18-5-3-4-12-25(18)20-23-13-16(14-24-20)19(26)22-11-10-15-6-8-17(21)9-7-15/h6-9,13-14,18H,2-5,10-12H2,1H3,(H,22,26)
InChIKeyXLKHNKAXXFPFIY-UHFFFAOYSA-N
XLogP3.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109263083
2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109264249
N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264239
N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264233
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249279
N-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109258347
N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264300
N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-4-fluorobenzamide
CID 113030675
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109262091
6-(2-ethylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153328
N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264292
N-[(4-chlorophenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109156994

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide (CID 109260032) is 2-(2-ethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide is CCC1CCCCN1c1ncc(C(=O)NCCc2ccc(F)cc2)cn1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is XLKHNKAXXFPFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-2-18-5-3-4-12-25(18)20-23-13-16(14-24-20)19(26)22-11-10-15-6-8-17(21)9-7-15/h6-9,13-14,18H,2-5,10-12H2,1H3,(H,22,26).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide?
2-(2-ethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109260032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).