2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide

C18H21FN4O — CID 109264249

IUPAC2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
SMILESCCC1CCCCN1c1ncc(C(=O)Nc2ccccc2F)cn1
InChIInChI=1S/C18H21FN4O/c1-2-14-7-5-6-10-23(14)18-20-11-13(12-21-18)17(24)22-16-9-4-3-8-15(16)19/h3-4,8-9,11-12,14H,2,5-7,10H2,1H3,(H,22,24)
InChIKeyCIQJPBOYYSIIOK-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.64
Rot. Bonds4

About 2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide

2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide (PubChem CID 109264249) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
PubChem CID109264249
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
SMILESCCC1CCCCN1c1ncc(C(=O)Nc2ccccc2F)cn1
InChIInChI=1S/C18H21FN4O/c1-2-14-7-5-6-10-23(14)18-20-11-13(12-21-18)17(24)22-16-9-4-3-8-15(16)19/h3-4,8-9,11-12,14H,2,5-7,10H2,1H3,(H,22,24)
InChIKeyCIQJPBOYYSIIOK-UHFFFAOYSA-N
XLogP3.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264300
N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264233
N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264239
N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109263083
2-(2-ethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109260032
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109262091
N-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264308
N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264292
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249279
N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109262320
2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 53136807
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261110

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide (CID 109264249) is 2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide is CCC1CCCCN1c1ncc(C(=O)Nc2ccccc2F)cn1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is CIQJPBOYYSIIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-2-14-7-5-6-10-23(14)18-20-11-13(12-21-18)17(24)22-16-9-4-3-8-15(16)19/h3-4,8-9,11-12,14H,2,5-7,10H2,1H3,(H,22,24).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide?
2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.64, 4 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-fluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109264249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).