5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide

C21H25FN4O2 — CID 109104556

IUPAC5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCCN1CCN(C(=O)c2cncc(C(=O)NCCc3ccccc3F)c2)CC1
InChIInChI=1S/C21H25FN4O2/c1-2-25-9-11-26(12-10-25)21(28)18-13-17(14-23-15-18)20(27)24-8-7-16-5-3-4-6-19(16)22/h3-6,13-15H,2,7-12H2,1H3,(H,24,27)
InChIKeyPDGQTEJFAPKZFM-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.97
Rot. Bonds6

About 5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide

5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 109104556) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID109104556
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCCN1CCN(C(=O)c2cncc(C(=O)NCCc3ccccc3F)c2)CC1
InChIInChI=1S/C21H25FN4O2/c1-2-25-9-11-26(12-10-25)21(28)18-13-17(14-23-15-18)20(27)24-8-7-16-5-3-4-6-19(16)22/h3-6,13-15H,2,7-12H2,1H3,(H,24,27)
InChIKeyPDGQTEJFAPKZFM-UHFFFAOYSA-N
XLogP1.97
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethylpiperazine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109104543
5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109104558
(4-ethylpiperazin-1-yl)-[5-[(2-fluorophenyl)methylamino]-3-pyridinyl]methanone
CID 109230420
N-[(2-fluorophenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102853
N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104421
3-N-[2-(2-fluorophenyl)ethyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109106315
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106697
N-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide
CID 109052000
[5-(2,3-difluorophenyl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 42845831
5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide
CID 109101958
5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109104539
(4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109254005

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide (CID 109104556) is 5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide is CCN1CCN(C(=O)c2cncc(C(=O)NCCc3ccccc3F)c2)CC1.
What is the InChIKey of 5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is PDGQTEJFAPKZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-2-25-9-11-26(12-10-25)21(28)18-13-17(14-23-15-18)20(27)24-8-7-16-5-3-4-6-19(16)22/h3-6,13-15H,2,7-12H2,1H3,(H,24,27).
What are the key properties of 5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109104556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).