5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide

C20H25FN4O — CID 109186778

IUPAC5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)NCCc3ccc(F)cc3)nc2)CC1
InChIInChI=1S/C20H25FN4O/c1-2-24-11-13-25(14-12-24)18-7-8-19(23-15-18)20(26)22-10-9-16-3-5-17(21)6-4-16/h3-8,15H,2,9-14H2,1H3,(H,22,26)
InChIKeyXBHGGLIIYVYSSE-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.34
Rot. Bonds6

About 5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide

5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109186778) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
PubChem CID109186778
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)NCCc3ccc(F)cc3)nc2)CC1
InChIInChI=1S/C20H25FN4O/c1-2-24-11-13-25(14-12-24)18-7-8-19(23-15-18)20(26)22-10-9-16-3-5-17(21)6-4-16/h3-8,15H,2,9-14H2,1H3,(H,22,26)
InChIKeyXBHGGLIIYVYSSE-UHFFFAOYSA-N
XLogP2.34
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109116492
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183865
5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109186840
N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186830
5-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 104639698
N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182753
ethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109191756
N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109187850
5-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109187084
5-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109187365
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 109179488

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide (CID 109186778) is 5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide is CCN1CCN(c2ccc(C(=O)NCCc3ccc(F)cc3)nc2)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is XBHGGLIIYVYSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-2-24-11-13-25(14-12-24)18-7-8-19(23-15-18)20(26)22-10-9-16-3-5-17(21)6-4-16/h3-8,15H,2,9-14H2,1H3,(H,22,26).
What are the key properties of 5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide?
5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109186778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).