6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide

C20H23FN4O2 — CID 109096789

IUPAC6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCCN1CCN(C(=O)c2cccc(C(=O)NCc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C20H23FN4O2/c1-2-24-10-12-25(13-11-24)20(27)18-5-3-4-17(23-18)19(26)22-14-15-6-8-16(21)9-7-15/h3-9H,2,10-14H2,1H3,(H,22,26)
InChIKeyGLCOQFNSJYFFDN-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.93
Rot. Bonds5

About 6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide

6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 109096789) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID109096789
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCCN1CCN(C(=O)c2cccc(C(=O)NCc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C20H23FN4O2/c1-2-24-10-12-25(13-11-24)20(27)18-5-3-4-17(23-18)19(26)22-14-15-6-8-16(21)9-7-15/h3-9H,2,10-14H2,1H3,(H,22,26)
InChIKeyGLCOQFNSJYFFDN-UHFFFAOYSA-N
XLogP1.93
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109097816
6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109096805
N-[2-(4-fluorophenyl)ethyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094790
(4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone
CID 109186613
2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2-oxoacetamide
CID 108529654
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109116479
N-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094786
2-N-[(4-fluorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093645
6-(ethylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 62239102
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109345258
ethane;N-[6-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-2,4,6-trifluorobenzamide
CID 178016546
3-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3-oxopropanamide
CID 108960862

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (CID 109096789) is 6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is CCN1CCN(C(=O)c2cccc(C(=O)NCc3ccc(F)cc3)n2)CC1.
What is the InChIKey of 6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is GLCOQFNSJYFFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-2-24-10-12-25(13-11-24)20(27)18-5-3-4-17(23-18)19(26)22-14-15-6-8-16(21)9-7-15/h3-9H,2,10-14H2,1H3,(H,22,26).
What are the key properties of 6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109096789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).