3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide

C14H13F3N4O — CID 37354088

IUPAC3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
SMILESC[C@H](NC(=O)c1nccnc1N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N4O/c1-8(9-2-4-10(5-3-9)14(15,16)17)21-13(22)11-12(18)20-7-6-19-11/h2-8H,1H3,(H2,18,20)(H,21,22)/t8-/m0/s1
InChIKeyDLHVJCJWYHXROS-QMMMGPOBSA-N
MW310.28 g/mol
LogP2.57
Rot. Bonds3

About 3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide

3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide (PubChem CID 37354088) has the molecular formula C14H13F3N4O and a molecular weight of 310.28 g/mol. Its IUPAC name is 3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
PubChem CID37354088
Molecular FormulaC14H13F3N4O
Molecular Weight310.28 g/mol
Exact Mass310.10
IUPAC Name3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
SMILESC[C@H](NC(=O)c1nccnc1N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N4O/c1-8(9-2-4-10(5-3-9)14(15,16)17)21-13(22)11-12(18)20-7-6-19-11/h2-8H,1H3,(H2,18,20)(H,21,22)/t8-/m0/s1
InChIKeyDLHVJCJWYHXROS-QMMMGPOBSA-N
XLogP2.57
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazine-2-carboxamide
CID 30013789
N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
CID 37354271
3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119044888
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
2,2,3,3-tetrafluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 103732673
2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 43711976
(2S)-2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79024381
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 47401062
3-amino-N-[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrazine-2-carboxamide
CID 122157931
2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42955470

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide (CID 37354088) is 3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide is C[C@H](NC(=O)c1nccnc1N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide?
The InChIKey is DLHVJCJWYHXROS-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H13F3N4O/c1-8(9-2-4-10(5-3-9)14(15,16)17)21-13(22)11-12(18)20-7-6-19-11/h2-8H,1H3,(H2,18,20)(H,21,22)/t8-/m0/s1.
What are the key properties of 3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide?
3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide has a molecular weight of 310.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 37354088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).