6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide

C20H25FN4O — CID 109369876

IUPAC6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1cc(C(=O)NCc2ccc(F)cc2)nc(C)n1
InChIInChI=1S/C20H25FN4O/c1-3-17-6-4-5-11-25(17)19-12-18(23-14(2)24-19)20(26)22-13-15-7-9-16(21)10-8-15/h7-10,12,17H,3-6,11,13H2,1-2H3,(H,22,26)
InChIKeyOJIUACDVEOTEBF-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.62
Rot. Bonds5

About 6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide

6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 109369876) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
PubChem CID109369876
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1cc(C(=O)NCc2ccc(F)cc2)nc(C)n1
InChIInChI=1S/C20H25FN4O/c1-3-17-6-4-5-11-25(17)19-12-18(23-14(2)24-19)20(26)22-13-15-7-9-16(21)10-8-15/h7-10,12,17H,3-6,11,13H2,1-2H3,(H,22,26)
InChIKeyOJIUACDVEOTEBF-UHFFFAOYSA-N
XLogP3.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369880
N-[(4-fluorophenyl)methyl]-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364108
6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365891
N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112847153
N-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112847196
N-[(4-fluorophenyl)methyl]-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367444
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
N-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112847159
[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365565
N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109369937
2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 112917516
6-(tert-butylamino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369870

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide (CID 109369876) is 6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide is CCC1CCCCN1c1cc(C(=O)NCc2ccc(F)cc2)nc(C)n1.
What is the InChIKey of 6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is OJIUACDVEOTEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-3-17-6-4-5-11-25(17)19-12-18(23-14(2)24-19)20(26)22-13-15-7-9-16(21)10-8-15/h7-10,12,17H,3-6,11,13H2,1-2H3,(H,22,26).
What are the key properties of 6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide?
6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109369876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).