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

C21H28N4O — CID 109222825

IUPAC5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(N2CCN(c3cccc(C)c3C)CC2)c1
InChIInChI=1S/C21H28N4O/c1-4-8-23-21(26)18-13-19(15-22-14-18)24-9-11-25(12-10-24)20-7-5-6-16(2)17(20)3/h5-7,13-15H,4,8-12H2,1-3H3,(H,23,26)
InChIKeyCOCUDGCBSMHTOW-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.16
Rot. Bonds5

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

5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide (PubChem CID 109222825) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
PubChem CID109222825
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(N2CCN(c3cccc(C)c3C)CC2)c1
InChIInChI=1S/C21H28N4O/c1-4-8-23-21(26)18-13-19(15-22-14-18)24-9-11-25(12-10-24)20-7-5-6-16(2)17(20)3/h5-7,13-15H,4,8-12H2,1-3H3,(H,23,26)
InChIKeyCOCUDGCBSMHTOW-UHFFFAOYSA-N
XLogP3.16
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 109238474
N-butyl-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109101971
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-3-pyridinyl)methanone
CID 109228601
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide
CID 109230294
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide
CID 109194312
N-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109238422
5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109230257
5-(3-methylpiperidin-1-yl)-N-propylpyridine-3-carboxamide
CID 109222844
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
N-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109079242
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide
CID 109222918
N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109229091

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide?
The IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide (CID 109222825) is 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1cncc(N2CCN(c3cccc(C)c3C)CC2)c1.
What is the InChIKey of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide?
The InChIKey is COCUDGCBSMHTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-4-8-23-21(26)18-13-19(15-22-14-18)24-9-11-25(12-10-24)20-7-5-6-16(2)17(20)3/h5-7,13-15H,4,8-12H2,1-3H3,(H,23,26).
What are the key properties of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide?
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.16, 5 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-propylpyridine-3-carboxamide is sourced from PubChem (CID 109222825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).