N-[3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]pyrazine-2-carboxamide

C15H13F3N4O3 — CID 4623413

IUPACN-[3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]pyrazine-2-carboxamide
SMILESO=C(NC(CO)C(=O)Nc1cccc(C(F)(F)F)c1)c1cnccn1
InChIInChI=1S/C15H13F3N4O3/c16-15(17,18)9-2-1-3-10(6-9)21-14(25)12(8-23)22-13(24)11-7-19-4-5-20-11/h1-7,12,23H,8H2,(H,21,25)(H,22,24)
InChIKeyPGJSPUQMFNDHCV-UHFFFAOYSA-N
MW354.29 g/mol
LogP1.22
Rot. Bonds5

About N-[3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]pyrazine-2-carboxamide

N-[3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]pyrazine-2-carboxamide (PubChem CID 4623413) has the molecular formula C15H13F3N4O3 and a molecular weight of 354.29 g/mol. Its IUPAC name is N-[3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]pyrazine-2-carboxamide
PubChem CID4623413
Molecular FormulaC15H13F3N4O3
Molecular Weight354.29 g/mol
Exact Mass354.09
IUPAC NameN-[3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]pyrazine-2-carboxamide
SMILESO=C(NC(CO)C(=O)Nc1cccc(C(F)(F)F)c1)c1cnccn1
InChIInChI=1S/C15H13F3N4O3/c16-15(17,18)9-2-1-3-10(6-9)21-14(25)12(8-23)22-13(24)11-7-19-4-5-20-11/h1-7,12,23H,8H2,(H,21,25)(H,22,24)
InChIKeyPGJSPUQMFNDHCV-UHFFFAOYSA-N
XLogP1.22
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]pyrazine-2-carboxamide
CID 3652353
N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 6724647
N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyrazine-2-carboxamide
CID 42945226
N-[3-hydroxy-1-(1,2-oxazol-3-ylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 4227522
N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide
CID 44554952
methyl (2S)-2-(pyrazine-2-carbonylamino)-3-[4-(trifluoromethyl)phenyl]propanoate
CID 146266907
5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 107377456
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289576
N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 62200673
N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 112762822
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 62853406

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]pyrazine-2-carboxamide (CID 4623413) is N-[3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]pyrazine-2-carboxamide is O=C(NC(CO)C(=O)Nc1cccc(C(F)(F)F)c1)c1cnccn1.
What is the InChIKey of N-[3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]pyrazine-2-carboxamide?
The InChIKey is PGJSPUQMFNDHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3/c16-15(17,18)9-2-1-3-10(6-9)21-14(25)12(8-23)22-13(24)11-7-19-4-5-20-11/h1-7,12,23H,8H2,(H,21,25)(H,22,24).
What are the key properties of N-[3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]pyrazine-2-carboxamide?
N-[3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]pyrazine-2-carboxamide has a molecular weight of 354.29 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 4623413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).