N-[6-methyl-6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]-1H-pyrazin-2-yl]propanamide

C17H21F3N4O2 — CID 174811373

IUPACN-[6-methyl-6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]-1H-pyrazin-2-yl]propanamide
SMILESCCC(=O)NC1=CN=CC(C)(NC(C)c2ccc(OC(F)(F)F)cc2)N1
InChIInChI=1S/C17H21F3N4O2/c1-4-15(25)22-14-9-21-10-16(3,24-14)23-11(2)12-5-7-13(8-6-12)26-17(18,19)20/h5-11,23-24H,4H2,1-3H3,(H,22,25)
InChIKeyMFOYBSWRNTYRPK-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.95
Rot. Bonds6

About N-[6-methyl-6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]-1H-pyrazin-2-yl]propanamide

N-[6-methyl-6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]-1H-pyrazin-2-yl]propanamide (PubChem CID 174811373) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[6-methyl-6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]-1H-pyrazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[6-methyl-6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]-1H-pyrazin-2-yl]propanamide
PubChem CID174811373
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC NameN-[6-methyl-6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]-1H-pyrazin-2-yl]propanamide
SMILESCCC(=O)NC1=CN=CC(C)(NC(C)c2ccc(OC(F)(F)F)cc2)N1
InChIInChI=1S/C17H21F3N4O2/c1-4-15(25)22-14-9-21-10-16(3,24-14)23-11(2)12-5-7-13(8-6-12)26-17(18,19)20/h5-11,23-24H,4H2,1-3H3,(H,22,25)
InChIKeyMFOYBSWRNTYRPK-UHFFFAOYSA-N
XLogP2.95
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]-1H-pyrazin-2-yl]propanamide?
The IUPAC name of N-[6-methyl-6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]-1H-pyrazin-2-yl]propanamide (CID 174811373) is N-[6-methyl-6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]-1H-pyrazin-2-yl]propanamide.
What is the SMILES notation for N-[6-methyl-6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]-1H-pyrazin-2-yl]propanamide?
The canonical SMILES for N-[6-methyl-6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]-1H-pyrazin-2-yl]propanamide is CCC(=O)NC1=CN=CC(C)(NC(C)c2ccc(OC(F)(F)F)cc2)N1.
What is the InChIKey of N-[6-methyl-6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]-1H-pyrazin-2-yl]propanamide?
The InChIKey is MFOYBSWRNTYRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O2/c1-4-15(25)22-14-9-21-10-16(3,24-14)23-11(2)12-5-7-13(8-6-12)26-17(18,19)20/h5-11,23-24H,4H2,1-3H3,(H,22,25).
What are the key properties of N-[6-methyl-6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]-1H-pyrazin-2-yl]propanamide?
N-[6-methyl-6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]-1H-pyrazin-2-yl]propanamide has a molecular weight of 370.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]-1H-pyrazin-2-yl]propanamide is sourced from PubChem (CID 174811373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).