N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide

C20H26N4O — CID 109264233

IUPACN-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCC1CCCCN1c1ncc(C(=O)Nc2cc(C)ccc2C)cn1
InChIInChI=1S/C20H26N4O/c1-4-17-7-5-6-10-24(17)20-21-12-16(13-22-20)19(25)23-18-11-14(2)8-9-15(18)3/h8-9,11-13,17H,4-7,10H2,1-3H3,(H,23,25)
InChIKeyNOHYGXQIPBRSLD-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.11
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide

N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109264233) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
PubChem CID109264233
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCC1CCCCN1c1ncc(C(=O)Nc2cc(C)ccc2C)cn1
InChIInChI=1S/C20H26N4O/c1-4-17-7-5-6-10-24(17)20-21-12-16(13-22-20)19(25)23-18-11-14(2)8-9-15(18)3/h8-9,11-13,17H,4-7,10H2,1-3H3,(H,23,25)
InChIKeyNOHYGXQIPBRSLD-UHFFFAOYSA-N
XLogP4.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide (CID 109264233) is N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide is CCC1CCCCN1c1ncc(C(=O)Nc2cc(C)ccc2C)cn1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is NOHYGXQIPBRSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-17-7-5-6-10-24(17)20-21-12-16(13-22-20)19(25)23-18-11-14(2)8-9-15(18)3/h8-9,11-13,17H,4-7,10H2,1-3H3,(H,23,25).
What are the key properties of N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109264233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).