N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C20H26N4O — CID 53039156

IUPACN-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccnc(N2CCC(C)CC2)n1
InChIInChI=1S/C20H26N4O/c1-3-23(15-17-7-5-4-6-8-17)19(25)18-9-12-21-20(22-18)24-13-10-16(2)11-14-24/h4-9,12,16H,3,10-11,13-15H2,1-2H3
InChIKeyHEKKUASTRZPFOE-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.38
Rot. Bonds5

About N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 53039156) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID53039156
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccnc(N2CCC(C)CC2)n1
InChIInChI=1S/C20H26N4O/c1-3-23(15-17-7-5-4-6-8-17)19(25)18-9-12-21-20(22-18)24-13-10-16(2)11-14-24/h4-9,12,16H,3,10-11,13-15H2,1-2H3
InChIKeyHEKKUASTRZPFOE-UHFFFAOYSA-N
XLogP3.38
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 53039156) is N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccnc(N2CCC(C)CC2)n1.
What is the InChIKey of N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is HEKKUASTRZPFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-23(15-17-7-5-4-6-8-17)19(25)18-9-12-21-20(22-18)24-13-10-16(2)11-14-24/h4-9,12,16H,3,10-11,13-15H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.38, 5 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-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 53039156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).