5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylpyridine-2-carboxamide;hydrochloride

C20H25ClN4O2 — CID 120741592

IUPAC5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylpyridine-2-carboxamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2ccc(C(=O)NC)nc2)cc1.Cl
InChIInChI=1S/C20H24N4O2.ClH/c1-3-14-4-6-15(7-5-14)18-13-22-10-11-24(18)20(26)16-8-9-17(23-12-16)19(25)21-2;/h4-9,12,18,22H,3,10-11,13H2,1-2H3,(H,21,25);1H
InChIKeyQZPWSRBOZLFIEA-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.21
Rot. Bonds4

About 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylpyridine-2-carboxamide;hydrochloride

5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylpyridine-2-carboxamide;hydrochloride (PubChem CID 120741592) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylpyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylpyridine-2-carboxamide;hydrochloride
PubChem CID120741592
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylpyridine-2-carboxamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2ccc(C(=O)NC)nc2)cc1.Cl
InChIInChI=1S/C20H24N4O2.ClH/c1-3-14-4-6-15(7-5-14)18-13-22-10-11-24(18)20(26)16-8-9-17(23-12-16)19(25)21-2;/h4-9,12,18,22H,3,10-11,13H2,1-2H3,(H,21,25);1H
InChIKeyQZPWSRBOZLFIEA-UHFFFAOYSA-N
XLogP2.21
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride
CID 120740299
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 120740889
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120740518
[2-(4-ethylphenyl)piperazin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 120741513
(3-chloro-4-pyridinyl)-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120740616
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 120740519
[2-(4-ethylphenyl)piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 120741073
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120741416
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
[2-(4-ethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone;dihydrochloride
CID 120741050

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylpyridine-2-carboxamide;hydrochloride?
The IUPAC name of 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylpyridine-2-carboxamide;hydrochloride (CID 120741592) is 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylpyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylpyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylpyridine-2-carboxamide;hydrochloride is CCc1ccc(C2CNCCN2C(=O)c2ccc(C(=O)NC)nc2)cc1.Cl.
What is the InChIKey of 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylpyridine-2-carboxamide;hydrochloride?
The InChIKey is QZPWSRBOZLFIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2.ClH/c1-3-14-4-6-15(7-5-14)18-13-22-10-11-24(18)20(26)16-8-9-17(23-12-16)19(25)21-2;/h4-9,12,18,22H,3,10-11,13H2,1-2H3,(H,21,25);1H.
What are the key properties of 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylpyridine-2-carboxamide;hydrochloride?
5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylpyridine-2-carboxamide;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylpyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120741592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).