N-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide

C21H28N4O — CID 109258347

IUPACN-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCC1CCCCN1c1ncc(C(=O)N(CC)Cc2ccccc2)cn1
InChIInChI=1S/C21H28N4O/c1-3-19-12-8-9-13-25(19)21-22-14-18(15-23-21)20(26)24(4-2)16-17-10-6-5-7-11-17/h5-7,10-11,14-15,19H,3-4,8-9,12-13,16H2,1-2H3
InChIKeyOPCZVUUFBOLZJZ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.91
Rot. Bonds6

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

N-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109258347) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
PubChem CID109258347
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCC1CCCCN1c1ncc(C(=O)N(CC)Cc2ccccc2)cn1
InChIInChI=1S/C21H28N4O/c1-3-19-12-8-9-13-25(19)21-22-14-18(15-23-21)20(26)24(4-2)16-17-10-6-5-7-11-17/h5-7,10-11,14-15,19H,3-4,8-9,12-13,16H2,1-2H3
InChIKeyOPCZVUUFBOLZJZ-UHFFFAOYSA-N
XLogP3.91
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250116
N-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109120599
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyrimidine-5-carboxamide
CID 109254752
N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide
CID 109250486
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide
CID 109258326
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261110
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249279
N-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide
CID 109189130
2-(2-ethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109260032
N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 112890842
2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109264249
N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109263083

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide (CID 109258347) is N-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide is CCC1CCCCN1c1ncc(C(=O)N(CC)Cc2ccccc2)cn1.
What is the InChIKey of N-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is OPCZVUUFBOLZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-3-19-12-8-9-13-25(19)21-22-14-18(15-23-21)20(26)24(4-2)16-17-10-6-5-7-11-17/h5-7,10-11,14-15,19H,3-4,8-9,12-13,16H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
N-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109258347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).