4-N-[(3,4-dihydroxyoxan-2-yl)methyl]benzene-1,4-dicarboxamide;6-(trifluoromethyl)pyrazin-2-amine

C19H22F3N5O5 — CID 171556691

IUPAC4-N-[(3,4-dihydroxyoxan-2-yl)methyl]benzene-1,4-dicarboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESNC(=O)c1ccc(C(=O)NCC2OCCC(O)C2O)cc1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C14H18N2O5.C5H4F3N3/c15-13(19)8-1-3-9(4-2-8)14(20)16-7-11-12(18)10(17)5-6-21-11;6-5(7,8)3-1-10-2-4(9)11-3/h1-4,10-12,17-18H,5-7H2,(H2,15,19)(H,16,20);1-2H,(H2,9,11)
InChIKeyHEZDDQILUORZDL-UHFFFAOYSA-N
MW457.41 g/mol
LogP0.10
Rot. Bonds4

About 4-N-[(3,4-dihydroxyoxan-2-yl)methyl]benzene-1,4-dicarboxamide;6-(trifluoromethyl)pyrazin-2-amine

4-N-[(3,4-dihydroxyoxan-2-yl)methyl]benzene-1,4-dicarboxamide;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171556691) has the molecular formula C19H22F3N5O5 and a molecular weight of 457.41 g/mol. Its IUPAC name is 4-N-[(3,4-dihydroxyoxan-2-yl)methyl]benzene-1,4-dicarboxamide;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name4-N-[(3,4-dihydroxyoxan-2-yl)methyl]benzene-1,4-dicarboxamide;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171556691
Molecular FormulaC19H22F3N5O5
Molecular Weight457.41 g/mol
Exact Mass457.16
IUPAC Name4-N-[(3,4-dihydroxyoxan-2-yl)methyl]benzene-1,4-dicarboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESNC(=O)c1ccc(C(=O)NCC2OCCC(O)C2O)cc1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C14H18N2O5.C5H4F3N3/c15-13(19)8-1-3-9(4-2-8)14(20)16-7-11-12(18)10(17)5-6-21-11;6-5(7,8)3-1-10-2-4(9)11-3/h1-4,10-12,17-18H,5-7H2,(H2,15,19)(H,16,20);1-2H,(H2,9,11)
InChIKeyHEZDDQILUORZDL-UHFFFAOYSA-N
XLogP0.10
TPSA173.68 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.41
LogP ≤ 50.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 4-N-[(3,4-dihydroxyoxan-2-yl)methyl]benzene-1,4-dicarboxamide;6-(trifluoromethyl)pyrazin-2-amine with MolForge

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Related Compounds

[4-[5-Amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 71712053
[4-[5-Amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 71712056
[4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 89761521
[4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 89761563
4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 118045255
4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045642
[2-[4-(5-Aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 90313762
[2-[4-(5-Aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(1-hydroxyethyl)morpholin-4-yl]methanone
CID 90313790
4-[3-amino-6-(2-hydroxyethyl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045210
4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-fluorobenzamide
CID 118045439
(R)-4-(3-amino-6-(2-hydroxypropyl)pyrazin-2-yl)-N-benzyl-2-fluorobenzamide
CID 118045771
(+/-)-4-(3-amino-6-(2-hydroxypropyl)pyrazin-2-yl)-N-benzyl-2-fluorobenzamide
CID 118045775

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,4-dihydroxyoxan-2-yl)methyl]benzene-1,4-dicarboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 4-N-[(3,4-dihydroxyoxan-2-yl)methyl]benzene-1,4-dicarboxamide;6-(trifluoromethyl)pyrazin-2-amine (CID 171556691) is 4-N-[(3,4-dihydroxyoxan-2-yl)methyl]benzene-1,4-dicarboxamide;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 4-N-[(3,4-dihydroxyoxan-2-yl)methyl]benzene-1,4-dicarboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 4-N-[(3,4-dihydroxyoxan-2-yl)methyl]benzene-1,4-dicarboxamide;6-(trifluoromethyl)pyrazin-2-amine is NC(=O)c1ccc(C(=O)NCC2OCCC(O)C2O)cc1.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of 4-N-[(3,4-dihydroxyoxan-2-yl)methyl]benzene-1,4-dicarboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is HEZDDQILUORZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5.C5H4F3N3/c15-13(19)8-1-3-9(4-2-8)14(20)16-7-11-12(18)10(17)5-6-21-11;6-5(7,8)3-1-10-2-4(9)11-3/h1-4,10-12,17-18H,5-7H2,(H2,15,19)(H,16,20);1-2H,(H2,9,11).
What are the key properties of 4-N-[(3,4-dihydroxyoxan-2-yl)methyl]benzene-1,4-dicarboxamide;6-(trifluoromethyl)pyrazin-2-amine?
4-N-[(3,4-dihydroxyoxan-2-yl)methyl]benzene-1,4-dicarboxamide;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 457.41 g/mol, XLogP of 0.10, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3,4-dihydroxyoxan-2-yl)methyl]benzene-1,4-dicarboxamide;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171556691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).