N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxo-1-pyrazin-2-ylethyl]amino]ethyl]propanamide;2,2,2-trifluoroacetic acid

C16H24F3N5O4 — CID 167851985

IUPACN-methyl-N-[2-[methyl-[2-(methylamino)-2-oxo-1-pyrazin-2-ylethyl]amino]ethyl]propanamide;2,2,2-trifluoroacetic acid
SMILESCCC(=O)N(C)CCN(C)C(C(=O)NC)c1cnccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H23N5O2.C2HF3O2/c1-5-12(20)18(3)8-9-19(4)13(14(21)15-2)11-10-16-6-7-17-11;3-2(4,5)1(6)7/h6-7,10,13H,5,8-9H2,1-4H3,(H,15,21);(H,6,7)
InChIKeyOIJUISXHOSLEGY-UHFFFAOYSA-N
MW407.39 g/mol
LogP0.70
Rot. Bonds7

About N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxo-1-pyrazin-2-ylethyl]amino]ethyl]propanamide;2,2,2-trifluoroacetic acid

N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxo-1-pyrazin-2-ylethyl]amino]ethyl]propanamide;2,2,2-trifluoroacetic acid (PubChem CID 167851985) has the molecular formula C16H24F3N5O4 and a molecular weight of 407.39 g/mol. Its IUPAC name is N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxo-1-pyrazin-2-ylethyl]amino]ethyl]propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-N-[2-[methyl-[2-(methylamino)-2-oxo-1-pyrazin-2-ylethyl]amino]ethyl]propanamide;2,2,2-trifluoroacetic acid
PubChem CID167851985
Molecular FormulaC16H24F3N5O4
Molecular Weight407.39 g/mol
Exact Mass407.18
IUPAC NameN-methyl-N-[2-[methyl-[2-(methylamino)-2-oxo-1-pyrazin-2-ylethyl]amino]ethyl]propanamide;2,2,2-trifluoroacetic acid
SMILESCCC(=O)N(C)CCN(C)C(C(=O)NC)c1cnccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H23N5O2.C2HF3O2/c1-5-12(20)18(3)8-9-19(4)13(14(21)15-2)11-10-16-6-7-17-11;3-2(4,5)1(6)7/h6-7,10,13H,5,8-9H2,1-4H3,(H,15,21);(H,6,7)
InChIKeyOIJUISXHOSLEGY-UHFFFAOYSA-N
XLogP0.70
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxo-1-pyrazin-2-ylethyl]amino]ethyl]propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxo-1-pyrazin-2-ylethyl]amino]ethyl]propanamide;2,2,2-trifluoroacetic acid (CID 167851985) is N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxo-1-pyrazin-2-ylethyl]amino]ethyl]propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxo-1-pyrazin-2-ylethyl]amino]ethyl]propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxo-1-pyrazin-2-ylethyl]amino]ethyl]propanamide;2,2,2-trifluoroacetic acid is CCC(=O)N(C)CCN(C)C(C(=O)NC)c1cnccn1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxo-1-pyrazin-2-ylethyl]amino]ethyl]propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is OIJUISXHOSLEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2.C2HF3O2/c1-5-12(20)18(3)8-9-19(4)13(14(21)15-2)11-10-16-6-7-17-11;3-2(4,5)1(6)7/h6-7,10,13H,5,8-9H2,1-4H3,(H,15,21);(H,6,7).
What are the key properties of N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxo-1-pyrazin-2-ylethyl]amino]ethyl]propanamide;2,2,2-trifluoroacetic acid?
N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxo-1-pyrazin-2-ylethyl]amino]ethyl]propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 407.39 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxo-1-pyrazin-2-ylethyl]amino]ethyl]propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167851985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).