5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide

C22H30N4O — CID 109194309

IUPAC5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(N2CCN(c3cccc(C)c3C)CC2)cn1
InChIInChI=1S/C22H30N4O/c1-5-24(6-2)22(27)20-11-10-19(16-23-20)25-12-14-26(15-13-25)21-9-7-8-17(3)18(21)4/h7-11,16H,5-6,12-15H2,1-4H3
InChIKeyPJCRMETZOKRWTE-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.51
Rot. Bonds5

About 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide

5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide (PubChem CID 109194309) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide
PubChem CID109194309
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(N2CCN(c3cccc(C)c3C)CC2)cn1
InChIInChI=1S/C22H30N4O/c1-5-24(6-2)22(27)20-11-10-19(16-23-20)25-12-14-26(15-13-25)21-9-7-8-17(3)18(21)4/h7-11,16H,5-6,12-15H2,1-4H3
InChIKeyPJCRMETZOKRWTE-UHFFFAOYSA-N
XLogP3.51
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide
CID 109194312
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772
N-ethyl-N-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186597
1-(2,3-dimethylphenyl)-4-[6-(dimethylsulfamoylamino)-3-pyridinyl]piperazine
CID 113029435
N-ethyl-N-(3-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182897
[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273559
N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193453
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridine-2-carboxamide
CID 109196532
N-butyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109194360
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide
CID 108998972
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 109222825
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970373

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide (CID 109194309) is 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1ccc(N2CCN(c3cccc(C)c3C)CC2)cn1.
What is the InChIKey of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide?
The InChIKey is PJCRMETZOKRWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-5-24(6-2)22(27)20-11-10-19(16-23-20)25-12-14-26(15-13-25)21-9-7-8-17(3)18(21)4/h7-11,16H,5-6,12-15H2,1-4H3.
What are the key properties of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide?
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 109194309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).