2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide

C17H19F3N4O3 — CID 174836817

IUPAC2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide
SMILESCC(=O)NC1(C(=O)NC(C)c2ccc(OCC(F)(F)F)cc2)C=NC=CN1
InChIInChI=1S/C17H19F3N4O3/c1-11(13-3-5-14(6-4-13)27-10-17(18,19)20)23-15(26)16(24-12(2)25)9-21-7-8-22-16/h3-9,11,22H,10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyWTNLVLIJDFVSOG-UHFFFAOYSA-N
MW384.36 g/mol
LogP1.78
Rot. Bonds6

About 2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide

2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide (PubChem CID 174836817) has the molecular formula C17H19F3N4O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is 2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide
PubChem CID174836817
Molecular FormulaC17H19F3N4O3
Molecular Weight384.36 g/mol
Exact Mass384.14
IUPAC Name2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide
SMILESCC(=O)NC1(C(=O)NC(C)c2ccc(OCC(F)(F)F)cc2)C=NC=CN1
InChIInChI=1S/C17H19F3N4O3/c1-11(13-3-5-14(6-4-13)27-10-17(18,19)20)23-15(26)16(24-12(2)25)9-21-7-8-22-16/h3-9,11,22H,10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyWTNLVLIJDFVSOG-UHFFFAOYSA-N
XLogP1.78
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide
CID 174811038
1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119748696
1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119303272
1-[1-(4-bromophenyl)ethyl]-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 112808744
2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119748726
N-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide
CID 52502800
4-oxo-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyridazine-5-carboxamide
CID 166396500
4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119303259
2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide
CID 120667813
1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea
CID 60586866
N-[1-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide
CID 68760878
2,2,2-trifluoroethyl N-[1-(4-ethoxyphenyl)ethyl]carbamate
CID 60705841

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide?
The IUPAC name of 2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide (CID 174836817) is 2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide.
What is the SMILES notation for 2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide?
The canonical SMILES for 2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide is CC(=O)NC1(C(=O)NC(C)c2ccc(OCC(F)(F)F)cc2)C=NC=CN1.
What is the InChIKey of 2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide?
The InChIKey is WTNLVLIJDFVSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3/c1-11(13-3-5-14(6-4-13)27-10-17(18,19)20)23-15(26)16(24-12(2)25)9-21-7-8-22-16/h3-9,11,22H,10H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide?
2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide has a molecular weight of 384.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide is sourced from PubChem (CID 174836817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).