3-amino-N-[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrazine-2-carboxamide

C14H12F4N4O — CID 122157931

IUPAC3-amino-N-[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NC(CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C14H12F4N4O/c15-9-3-1-8(2-4-9)10(7-14(16,17)18)22-13(23)11-12(19)21-6-5-20-11/h1-6,10H,7H2,(H2,19,21)(H,22,23)
InChIKeyPNUOAGMBMPOTKA-UHFFFAOYSA-N
MW328.27 g/mol
LogP2.62
Rot. Bonds4

About 3-amino-N-[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrazine-2-carboxamide

3-amino-N-[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrazine-2-carboxamide (PubChem CID 122157931) has the molecular formula C14H12F4N4O and a molecular weight of 328.27 g/mol. Its IUPAC name is 3-amino-N-[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrazine-2-carboxamide
PubChem CID122157931
Molecular FormulaC14H12F4N4O
Molecular Weight328.27 g/mol
Exact Mass328.09
IUPAC Name3-amino-N-[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NC(CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C14H12F4N4O/c15-9-3-1-8(2-4-9)10(7-14(16,17)18)22-13(23)11-12(19)21-6-5-20-11/h1-6,10H,7H2,(H2,19,21)(H,22,23)
InChIKeyPNUOAGMBMPOTKA-UHFFFAOYSA-N
XLogP2.62
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 37354088
2-(4-hydroxyphenyl)-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]acetamide
CID 124573471
3-amino-N-[(R)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]pyrazine-2-carboxamide
CID 97213854
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide
CID 166453469
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-3,4,5-trimethoxybenzamide
CID 55751531
3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide
CID 119132592
3-amino-N-[(1R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]pyrazine-2-carboxamide
CID 129359034
1-[(4S)-oxepan-4-yl]-3-[(1S)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]urea
CID 129398291
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
N-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine
CID 43488899
(3R)-3-(4-fluorophenyl)-3-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonylamino)propanoic acid
CID 171389863
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
CID 104741224

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrazine-2-carboxamide (CID 122157931) is 3-amino-N-[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)NC(CC(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of 3-amino-N-[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrazine-2-carboxamide?
The InChIKey is PNUOAGMBMPOTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N4O/c15-9-3-1-8(2-4-9)10(7-14(16,17)18)22-13(23)11-12(19)21-6-5-20-11/h1-6,10H,7H2,(H2,19,21)(H,22,23).
What are the key properties of 3-amino-N-[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrazine-2-carboxamide?
3-amino-N-[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrazine-2-carboxamide has a molecular weight of 328.27 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 122157931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).