N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide

C20H26N4O — CID 109264239

IUPACN-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(N3CCCCC3CC)nc2)cc1
InChIInChI=1S/C20H26N4O/c1-3-15-8-10-17(11-9-15)23-19(25)16-13-21-20(22-14-16)24-12-6-5-7-18(24)4-2/h8-11,13-14,18H,3-7,12H2,1-2H3,(H,23,25)
InChIKeySTBCFSKUJUCMPI-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.06
Rot. Bonds5

About N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide

N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109264239) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
PubChem CID109264239
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(N3CCCCC3CC)nc2)cc1
InChIInChI=1S/C20H26N4O/c1-3-15-8-10-17(11-9-15)23-19(25)16-13-21-20(22-14-16)24-12-6-5-7-18(24)4-2/h8-11,13-14,18H,3-7,12H2,1-2H3,(H,23,25)
InChIKeySTBCFSKUJUCMPI-UHFFFAOYSA-N
XLogP4.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264292
N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109263083
N-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264308
2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109264249
N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264233
N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250918
2-(2-ethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109260032
N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264300
N-(4-ethylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264445
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249279
N-(4-ethylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090223
N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254526

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide (CID 109264239) is N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide is CCc1ccc(NC(=O)c2cnc(N3CCCCC3CC)nc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is STBCFSKUJUCMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-15-8-10-17(11-9-15)23-19(25)16-13-21-20(22-14-16)24-12-6-5-7-18(24)4-2/h8-11,13-14,18H,3-7,12H2,1-2H3,(H,23,25).
What are the key properties of N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109264239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).