5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide

C20H24N4O2 — CID 109187407

IUPAC5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3c(C)cccc3C)nc2)CC1
InChIInChI=1S/C20H24N4O2/c1-14-5-4-6-15(2)19(14)22-20(26)18-8-7-17(13-21-18)24-11-9-23(10-12-24)16(3)25/h4-8,13H,9-12H2,1-3H3,(H,22,26)
InChIKeyRATXVEFUOVGSOP-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.62
Rot. Bonds3

About 5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide

5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 109187407) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
PubChem CID109187407
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3c(C)cccc3C)nc2)CC1
InChIInChI=1S/C20H24N4O2/c1-14-5-4-6-15(2)19(14)22-20(26)18-8-7-17(13-21-18)24-11-9-23(10-12-24)16(3)25/h4-8,13H,9-12H2,1-3H3,(H,22,26)
InChIKeyRATXVEFUOVGSOP-UHFFFAOYSA-N
XLogP2.62
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186512
N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182066
N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193453
N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109285561
N-(2,6-diethylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182816
N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109188154
N-[2,6-di(propan-2-yl)phenyl]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186575
5-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183834
5-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109187365
1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone
CID 83120198
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109194366
ethyl 4-[5-(4-acetylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109187379

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide (CID 109187407) is 5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide is CC(=O)N1CCN(c2ccc(C(=O)Nc3c(C)cccc3C)nc2)CC1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is RATXVEFUOVGSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-5-4-6-15(2)19(14)22-20(26)18-8-7-17(13-21-18)24-11-9-23(10-12-24)16(3)25/h4-8,13H,9-12H2,1-3H3,(H,22,26).
What are the key properties of 5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide?
5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109187407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).