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

C20H25ClN4O — CID 109238491

IUPAC5-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cncc(N2CCN(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H25ClN4O/c1-3-23(4-2)20(26)16-12-19(15-22-14-16)25-10-8-24(9-11-25)18-7-5-6-17(21)13-18/h5-7,12-15H,3-4,8-11H2,1-2H3
InChIKeyRKQGWTDSWFQWHB-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.54
Rot. Bonds5

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

5-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-carboxamide (PubChem CID 109238491) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-carboxamide
PubChem CID109238491
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name5-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cncc(N2CCN(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H25ClN4O/c1-3-23(4-2)20(26)16-12-19(15-22-14-16)25-10-8-24(9-11-25)18-7-5-6-17(21)13-18/h5-7,12-15H,3-4,8-11H2,1-2H3
InChIKeyRKQGWTDSWFQWHB-UHFFFAOYSA-N
XLogP3.54
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106558
5-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyridine-3-carboxamide
CID 109231167
N,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109160359
N,N-diethyl-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109106568
[4-(3-chlorophenyl)piperazin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 110854505
6-chloro-N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-3-carboxamide
CID 71825108
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone
CID 109223025
N,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109238842
1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone
CID 110453059
[4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 35295381
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 879682
[5-(butylamino)-3-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109224597

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-carboxamide?
The IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-carboxamide (CID 109238491) is 5-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-carboxamide?
The canonical SMILES for 5-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-carboxamide is CCN(CC)C(=O)c1cncc(N2CCN(c3cccc(Cl)c3)CC2)c1.
What is the InChIKey of 5-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-carboxamide?
The InChIKey is RKQGWTDSWFQWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-3-23(4-2)20(26)16-12-19(15-22-14-16)25-10-8-24(9-11-25)18-7-5-6-17(21)13-18/h5-7,12-15H,3-4,8-11H2,1-2H3.
What are the key properties of 5-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-carboxamide?
5-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-carboxamide is sourced from PubChem (CID 109238491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).