6-cyano-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide;ethane

C17H22F3N5O2 — CID 145308024

IUPAC6-cyano-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide;ethane
SMILESCC.N#Cc1ccc(C(=O)NCC(=O)N2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C15H16F3N5O2.C2H6/c16-15(17,18)10-22-3-5-23(6-4-22)13(24)9-21-14(25)11-1-2-12(7-19)20-8-11;1-2/h1-2,8H,3-6,9-10H2,(H,21,25);1-2H3
InChIKeyTVAAULUZYDFSOE-UHFFFAOYSA-N
MW385.39 g/mol
LogP1.42
Rot. Bonds4

About 6-cyano-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide;ethane

6-cyano-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide;ethane (PubChem CID 145308024) has the molecular formula C17H22F3N5O2 and a molecular weight of 385.39 g/mol. Its IUPAC name is 6-cyano-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name6-cyano-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide;ethane
PubChem CID145308024
Molecular FormulaC17H22F3N5O2
Molecular Weight385.39 g/mol
Exact Mass385.17
IUPAC Name6-cyano-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide;ethane
SMILESCC.N#Cc1ccc(C(=O)NCC(=O)N2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C15H16F3N5O2.C2H6/c16-15(17,18)10-22-3-5-23(6-4-22)13(24)9-21-14(25)11-1-2-12(7-19)20-8-11;1-2/h1-2,8H,3-6,9-10H2,(H,21,25);1-2H3
InChIKeyTVAAULUZYDFSOE-UHFFFAOYSA-N
XLogP1.42
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-cyano-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide;ethane with MolForge

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Related Compounds

6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 46525121
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677
(6-fluoro-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 63979493
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 167911710
6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide
CID 67567287
6-cyano-N-[[4-(methylcarbamoyl)cyclohexyl]methyl]pyridine-3-carboxamide
CID 118773668
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
CID 34839400
N-prop-2-ynyl-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide
CID 133486904
N-[2-oxo-2-[4-(3,3,3-trifluoropropyl)-1,4-diazepan-1-yl]ethyl]benzamide
CID 134711635
6-anilino-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 59559675
6-cyano-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 91831670
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 112991929

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide;ethane?
The IUPAC name of 6-cyano-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide;ethane (CID 145308024) is 6-cyano-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide;ethane.
What is the SMILES notation for 6-cyano-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide;ethane?
The canonical SMILES for 6-cyano-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide;ethane is CC.N#Cc1ccc(C(=O)NCC(=O)N2CCN(CC(F)(F)F)CC2)cn1.
What is the InChIKey of 6-cyano-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide;ethane?
The InChIKey is TVAAULUZYDFSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2.C2H6/c16-15(17,18)10-22-3-5-23(6-4-22)13(24)9-21-14(25)11-1-2-12(7-19)20-8-11;1-2/h1-2,8H,3-6,9-10H2,(H,21,25);1-2H3.
What are the key properties of 6-cyano-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide;ethane?
6-cyano-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide;ethane has a molecular weight of 385.39 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide;ethane is sourced from PubChem (CID 145308024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).