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

C23H32N4O — CID 109238474

IUPAC5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCc1cccc(N2CCN(c3cncc(C(=O)NCCC(C)C)c3)CC2)c1C
InChIInChI=1S/C23H32N4O/c1-17(2)8-9-25-23(28)20-14-21(16-24-15-20)26-10-12-27(13-11-26)22-7-5-6-18(3)19(22)4/h5-7,14-17H,8-13H2,1-4H3,(H,25,28)
InChIKeyMCWLEIKSSJLVEW-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.80
Rot. Bonds6

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

5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide (PubChem CID 109238474) 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-(3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide
PubChem CID109238474
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCc1cccc(N2CCN(c3cncc(C(=O)NCCC(C)C)c3)CC2)c1C
InChIInChI=1S/C23H32N4O/c1-17(2)8-9-25-23(28)20-14-21(16-24-15-20)26-10-12-27(13-11-26)22-7-5-6-18(3)19(22)4/h5-7,14-17H,8-13H2,1-4H3,(H,25,28)
InChIKeyMCWLEIKSSJLVEW-UHFFFAOYSA-N
XLogP3.80
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 109222825
N-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109238422
N-(3-methylbutyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228614
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8582985
N-butyl-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109101971
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-(3-methylbutyl)propanamide
CID 169180327
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-3-pyridinyl)methanone
CID 109228601
N-(3-methylbutyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109239859
3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107123
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone
CID 109174427
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 109223224
5-(4-ethylpiperazin-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224744

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide (CID 109238474) is 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide is Cc1cccc(N2CCN(c3cncc(C(=O)NCCC(C)C)c3)CC2)c1C.
What is the InChIKey of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is MCWLEIKSSJLVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-17(2)8-9-25-23(28)20-14-21(16-24-15-20)26-10-12-27(13-11-26)22-7-5-6-18(3)19(22)4/h5-7,14-17H,8-13H2,1-4H3,(H,25,28).
What are the key properties of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide?
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 3.80, 6 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-(3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 109238474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).