N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazine-2-carboxamide

C14H11F3N4O2 — CID 27786711

IUPACN-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazine-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cnccn1
InChIInChI=1S/C14H11F3N4O2/c1-21(14(23)10-6-18-4-5-19-10)7-11(22)20-9-3-2-8(15)12(16)13(9)17/h2-6H,7H2,1H3,(H,20,22)
InChIKeyUNLQZWSOEUXHAV-UHFFFAOYSA-N
MW324.26 g/mol
LogP1.60
Rot. Bonds4

About N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazine-2-carboxamide

N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazine-2-carboxamide (PubChem CID 27786711) has the molecular formula C14H11F3N4O2 and a molecular weight of 324.26 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazine-2-carboxamide
PubChem CID27786711
Molecular FormulaC14H11F3N4O2
Molecular Weight324.26 g/mol
Exact Mass324.08
IUPAC NameN-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazine-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cnccn1
InChIInChI=1S/C14H11F3N4O2/c1-21(14(23)10-6-18-4-5-19-10)7-11(22)20-9-3-2-8(15)12(16)13(9)17/h2-6H,7H2,1H3,(H,20,22)
InChIKeyUNLQZWSOEUXHAV-UHFFFAOYSA-N
XLogP1.60
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
CID 9417366
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 9494044
N-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide
CID 47112752
methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate
CID 47129086
N,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2450403
2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27786720
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 109001471
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide
CID 2534365
2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 62686094
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyridine-4-carboxamide
CID 27773073
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7936390
2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550801

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazine-2-carboxamide (CID 27786711) is N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazine-2-carboxamide is CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cnccn1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazine-2-carboxamide?
The InChIKey is UNLQZWSOEUXHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O2/c1-21(14(23)10-6-18-4-5-19-10)7-11(22)20-9-3-2-8(15)12(16)13(9)17/h2-6H,7H2,1H3,(H,20,22).
What are the key properties of N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazine-2-carboxamide?
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazine-2-carboxamide has a molecular weight of 324.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 27786711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).