2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

C20H26N4O — CID 109304082

IUPAC2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1nccc(C(=O)NCc2ccccc2C)n1
InChIInChI=1S/C20H26N4O/c1-3-17-10-6-7-13-24(17)20-21-12-11-18(23-20)19(25)22-14-16-9-5-4-8-15(16)2/h4-5,8-9,11-12,17H,3,6-7,10,13-14H2,1-2H3,(H,22,25)
InChIKeyXTBDXUPVSBMHDJ-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.48
Rot. Bonds5

About 2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109304082) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109304082
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1nccc(C(=O)NCc2ccccc2C)n1
InChIInChI=1S/C20H26N4O/c1-3-17-10-6-7-13-24(17)20-21-12-11-18(23-20)19(25)22-14-16-9-5-4-8-15(16)2/h4-5,8-9,11-12,17H,3,6-7,10,13-14H2,1-2H3,(H,22,25)
InChIKeyXTBDXUPVSBMHDJ-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312478
N-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109295796
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615
N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312487
N-(5-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312495
N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312492
N-(2,3-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312543
2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109312509
2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109312527
2-(2-ethylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312516
5-(2-ethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281326
2-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330744

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109304082) is 2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is CCC1CCCCN1c1nccc(C(=O)NCc2ccccc2C)n1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is XTBDXUPVSBMHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-17-10-6-7-13-24(17)20-21-12-11-18(23-20)19(25)22-14-16-9-5-4-8-15(16)2/h4-5,8-9,11-12,17H,3,6-7,10,13-14H2,1-2H3,(H,22,25).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.48, 5 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-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109304082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).