2-[3-(5-amino-6-propylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide

C17H19F3N4O2 — CID 151227882

IUPAC2-[3-(5-amino-6-propylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCCCc1nc(-c2cc(C(O)(C(N)=O)C(F)(F)F)ccc2C)cnc1N
InChIInChI=1S/C17H19F3N4O2/c1-3-4-12-14(21)23-8-13(24-12)11-7-10(6-5-9(11)2)16(26,15(22)25)17(18,19)20/h5-8,26H,3-4H2,1-2H3,(H2,21,23)(H2,22,25)
InChIKeyNNQPDRGEWIIUBT-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.22
Rot. Bonds5

About 2-[3-(5-amino-6-propylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide

2-[3-(5-amino-6-propylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 151227882) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-[3-(5-amino-6-propylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound Name2-[3-(5-amino-6-propylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
PubChem CID151227882
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name2-[3-(5-amino-6-propylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCCCc1nc(-c2cc(C(O)(C(N)=O)C(F)(F)F)ccc2C)cnc1N
InChIInChI=1S/C17H19F3N4O2/c1-3-4-12-14(21)23-8-13(24-12)11-7-10(6-5-9(11)2)16(26,15(22)25)17(18,19)20/h5-8,26H,3-4H2,1-2H3,(H2,21,23)(H2,22,25)
InChIKeyNNQPDRGEWIIUBT-UHFFFAOYSA-N
XLogP2.22
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4'-(5-Aminopyrazin-2-yl)-3'-fluoro-4-(trifluoromethyl)biphenyl-2-carboxylic acid
CID 90313214
6-[3-amino-6-[4-(2-hydroxypropan-2-yl)phenyl]pyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 123926600
US10738057, Example 169
CID 138561173
US10738057, Example 82
CID 138561469
US10738057, Example 89
CID 138561488
US10738057, Example 118
CID 138561498
US10738057, Example 128
CID 138561669
US10738057, Example 120
CID 138562071
US10738057, Example 129
CID 138562319
US10738057, Example 255
CID 138619343
US11046658, Example 110
CID 148017736
US11046658, Example 98
CID 148590503

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-amino-6-propylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The IUPAC name of 2-[3-(5-amino-6-propylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (CID 151227882) is 2-[3-(5-amino-6-propylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.
What is the SMILES notation for 2-[3-(5-amino-6-propylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The canonical SMILES for 2-[3-(5-amino-6-propylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is CCCc1nc(-c2cc(C(O)(C(N)=O)C(F)(F)F)ccc2C)cnc1N.
What is the InChIKey of 2-[3-(5-amino-6-propylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The InChIKey is NNQPDRGEWIIUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-3-4-12-14(21)23-8-13(24-12)11-7-10(6-5-9(11)2)16(26,15(22)25)17(18,19)20/h5-8,26H,3-4H2,1-2H3,(H2,21,23)(H2,22,25).
What are the key properties of 2-[3-(5-amino-6-propylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
2-[3-(5-amino-6-propylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 368.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-amino-6-propylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 151227882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).