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

C21H27FN4O — CID 109330744

IUPAC2-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1nc(C)cc(C(=O)NCCc2ccccc2F)n1
InChIInChI=1S/C21H27FN4O/c1-3-17-9-6-7-13-26(17)21-24-15(2)14-19(25-21)20(27)23-12-11-16-8-4-5-10-18(16)22/h4-5,8,10,14,17H,3,6-7,9,11-13H2,1-2H3,(H,23,27)
InChIKeyLWNLCHCKOSBCOS-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.67
Rot. Bonds6

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

2-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109330744) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109330744
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name2-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1nc(C)cc(C(=O)NCCc2ccccc2F)n1
InChIInChI=1S/C21H27FN4O/c1-3-17-9-6-7-13-26(17)21-24-15(2)14-19(25-21)20(27)23-12-11-16-8-4-5-10-18(16)22/h4-5,8,10,14,17H,3,6-7,9,11-13H2,1-2H3,(H,23,27)
InChIKeyLWNLCHCKOSBCOS-UHFFFAOYSA-N
XLogP3.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330747
N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324210
6-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109098541
N-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109333831
2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109333798
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 650826
3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 112953404
6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371830
5-(2-ethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281326
2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304082
2-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109321216
4-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 109149064

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide (CID 109330744) is 2-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide is CCC1CCCCN1c1nc(C)cc(C(=O)NCCc2ccccc2F)n1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is LWNLCHCKOSBCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-3-17-9-6-7-13-26(17)21-24-15(2)14-19(25-21)20(27)23-12-11-16-8-4-5-10-18(16)22/h4-5,8,10,14,17H,3,6-7,9,11-13H2,1-2H3,(H,23,27).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
2-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 3.67, 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-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109330744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).