ethane;N-[6-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-2,4,6-trifluorobenzamide

C21H25F3N4O2 — CID 178016546

IUPACethane;N-[6-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-2,4,6-trifluorobenzamide
SMILESCC.CCN1CCN(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1
InChIInChI=1S/C19H19F3N4O2.C2H6/c1-2-25-6-8-26(9-7-25)19(28)15-4-3-5-16(23-15)24-18(27)17-13(21)10-12(20)11-14(17)22;1-2/h3-5,10-11H,2,6-9H2,1H3,(H,23,24,27);1-2H3
InChIKeyAWTDKBVTLAUYTD-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.56
Rot. Bonds4

About ethane;N-[6-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-2,4,6-trifluorobenzamide

ethane;N-[6-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-2,4,6-trifluorobenzamide (PubChem CID 178016546) has the molecular formula C21H25F3N4O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is ethane;N-[6-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-2,4,6-trifluorobenzamide.

Molecular Properties

Compound Nameethane;N-[6-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-2,4,6-trifluorobenzamide
PubChem CID178016546
Molecular FormulaC21H25F3N4O2
Molecular Weight422.45 g/mol
Exact Mass422.19
IUPAC Nameethane;N-[6-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-2,4,6-trifluorobenzamide
SMILESCC.CCN1CCN(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1
InChIInChI=1S/C19H19F3N4O2.C2H6/c1-2-25-6-8-26(9-7-25)19(28)15-4-3-5-16(23-15)24-18(27)17-13(21)10-12(20)11-14(17)22;1-2/h3-5,10-11H,2,6-9H2,1H3,(H,23,24,27);1-2H3
InChIKeyAWTDKBVTLAUYTD-UHFFFAOYSA-N
XLogP3.56
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pyridinyl]-2,4,6-trifluorobenzamide
CID 178016551
6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109096789
formaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
CID 155570632
2,4,6-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide;dihydrochloride
CID 66939247
(6-bromo-5-fluoro-2-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 167714000
[6-(2,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367417
N-(3,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096866
ethane;methanamine;2,4,6-trifluoro-N-[6-[hydroxy-(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]benzamide
CID 178016549
N-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096865
[6-(2,4-difluoroanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109345533
(4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
CID 109367307
6-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109096862

Frequently Asked Questions

What is the IUPAC name of ethane;N-[6-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-2,4,6-trifluorobenzamide?
The IUPAC name of ethane;N-[6-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-2,4,6-trifluorobenzamide (CID 178016546) is ethane;N-[6-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-2,4,6-trifluorobenzamide.
What is the SMILES notation for ethane;N-[6-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-2,4,6-trifluorobenzamide?
The canonical SMILES for ethane;N-[6-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-2,4,6-trifluorobenzamide is CC.CCN1CCN(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1.
What is the InChIKey of ethane;N-[6-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-2,4,6-trifluorobenzamide?
The InChIKey is AWTDKBVTLAUYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2.C2H6/c1-2-25-6-8-26(9-7-25)19(28)15-4-3-5-16(23-15)24-18(27)17-13(21)10-12(20)11-14(17)22;1-2/h3-5,10-11H,2,6-9H2,1H3,(H,23,24,27);1-2H3.
What are the key properties of ethane;N-[6-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-2,4,6-trifluorobenzamide?
ethane;N-[6-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-2,4,6-trifluorobenzamide has a molecular weight of 422.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[6-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-2,4,6-trifluorobenzamide is sourced from PubChem (CID 178016546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).