5-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide

C20H23ClN4O2 — CID 109231183

IUPAC5-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2cncc(C(=O)NCCc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C20H23ClN4O2/c1-15(26)24-8-10-25(11-9-24)19-12-17(13-22-14-19)20(27)23-7-6-16-2-4-18(21)5-3-16/h2-5,12-14H,6-11H2,1H3,(H,23,27)
InChIKeyPDBNDPVUAUERJY-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.38
Rot. Bonds5

About 5-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide

5-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 109231183) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID109231183
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name5-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2cncc(C(=O)NCCc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C20H23ClN4O2/c1-15(26)24-8-10-25(11-9-24)19-12-17(13-22-14-19)20(27)23-7-6-16-2-4-18(21)5-3-16/h2-5,12-14H,6-11H2,1H3,(H,23,27)
InChIKeyPDBNDPVUAUERJY-UHFFFAOYSA-N
XLogP2.38
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109231191
N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230260
5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109230257
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103432
5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide
CID 109106595
N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223411
2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109303008
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230262
N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113109947
4-acetyl-N-[2-(4-chlorophenyl)ethyl]-1,4-diazepane-1-carbothioamide
CID 3773187
N-[2-(4-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109237784

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide (CID 109231183) is 5-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide is CC(=O)N1CCN(c2cncc(C(=O)NCCc3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is PDBNDPVUAUERJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-15(26)24-8-10-25(11-9-24)19-12-17(13-22-14-19)20(27)23-7-6-16-2-4-18(21)5-3-16/h2-5,12-14H,6-11H2,1H3,(H,23,27).
What are the key properties of 5-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide?
5-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109231183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).