N'-propanoyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazine-2-carbohydrazide

C17H18F3N5O3 — CID 174811032

IUPACN'-propanoyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazine-2-carbohydrazide
SMILESCCC(=O)NN(C(=O)c1cnccn1)C(C)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C17H18F3N5O3/c1-3-14(26)24-25(16(27)13-9-21-6-7-22-13)11(2)12-4-5-15(23-8-12)28-10-17(18,19)20/h4-9,11H,3,10H2,1-2H3,(H,24,26)
InChIKeyYNAATHGUXLMIPV-UHFFFAOYSA-N
MW397.36 g/mol
LogP2.46
Rot. Bonds6

About N'-propanoyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazine-2-carbohydrazide

N'-propanoyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazine-2-carbohydrazide (PubChem CID 174811032) has the molecular formula C17H18F3N5O3 and a molecular weight of 397.36 g/mol. Its IUPAC name is N'-propanoyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-propanoyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazine-2-carbohydrazide
PubChem CID174811032
Molecular FormulaC17H18F3N5O3
Molecular Weight397.36 g/mol
Exact Mass397.14
IUPAC NameN'-propanoyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazine-2-carbohydrazide
SMILESCCC(=O)NN(C(=O)c1cnccn1)C(C)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C17H18F3N5O3/c1-3-14(26)24-25(16(27)13-9-21-6-7-22-13)11(2)12-4-5-15(23-8-12)28-10-17(18,19)20/h4-9,11H,3,10H2,1-2H3,(H,24,26)
InChIKeyYNAATHGUXLMIPV-UHFFFAOYSA-N
XLogP2.46
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 174699847
2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 171928236
1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine
CID 58629100
2-methyl-6-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67508904
N,2-dimethyl-6-(3-methyl-2-oxobutyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 159982999
S-[3,4-dihydroxy-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butyl] ethanethioate
CID 171876811
2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrimidine-4-carboxamide
CID 141332123
2-(2-oxopentyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 158848716
2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 149045512
N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 75303570
N,2-dimethyl-6-(2-methylpropanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67509182
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173

Frequently Asked Questions

What is the IUPAC name of N'-propanoyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazine-2-carbohydrazide?
The IUPAC name of N'-propanoyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazine-2-carbohydrazide (CID 174811032) is N'-propanoyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-propanoyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazine-2-carbohydrazide?
The canonical SMILES for N'-propanoyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazine-2-carbohydrazide is CCC(=O)NN(C(=O)c1cnccn1)C(C)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N'-propanoyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazine-2-carbohydrazide?
The InChIKey is YNAATHGUXLMIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O3/c1-3-14(26)24-25(16(27)13-9-21-6-7-22-13)11(2)12-4-5-15(23-8-12)28-10-17(18,19)20/h4-9,11H,3,10H2,1-2H3,(H,24,26).
What are the key properties of N'-propanoyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazine-2-carbohydrazide?
N'-propanoyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazine-2-carbohydrazide has a molecular weight of 397.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propanoyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 174811032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).