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

C23H32N4O — CID 109194312

IUPAC5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(N2CCN(c3cccc(C)c3C)CC2)cn1
InChIInChI=1S/C23H32N4O/c1-4-5-6-12-24-23(28)21-11-10-20(17-25-21)26-13-15-27(16-14-26)22-9-7-8-18(2)19(22)3/h7-11,17H,4-6,12-16H2,1-3H3,(H,24,28)
InChIKeyFRUUFZDQGODGJA-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.95
Rot. Bonds7

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

5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide (PubChem CID 109194312) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide
PubChem CID109194312
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(N2CCN(c3cccc(C)c3C)CC2)cn1
InChIInChI=1S/C23H32N4O/c1-4-5-6-12-24-23(28)21-11-10-20(17-25-21)26-13-15-27(16-14-26)22-9-7-8-18(2)19(22)3/h7-11,17H,4-6,12-16H2,1-3H3,(H,24,28)
InChIKeyFRUUFZDQGODGJA-UHFFFAOYSA-N
XLogP3.95
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide
CID 109186486
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide
CID 109194309
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 109109265
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 109222825
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184245
N-butyl-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109101971
N-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109079242
5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide
CID 109180700
N-[3-(dimethylamino)propyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 109115996
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(pentylamino)ethanone
CID 109004221
N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193453

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide?
The IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide (CID 109194312) is 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide is CCCCCNC(=O)c1ccc(N2CCN(c3cccc(C)c3C)CC2)cn1.
What is the InChIKey of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide?
The InChIKey is FRUUFZDQGODGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-4-5-6-12-24-23(28)21-11-10-20(17-25-21)26-13-15-27(16-14-26)22-9-7-8-18(2)19(22)3/h7-11,17H,4-6,12-16H2,1-3H3,(H,24,28).
What are the key properties of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide?
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 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-pentylpyridine-2-carboxamide is sourced from PubChem (CID 109194312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).