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3-amino-N-pentan-3-yl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

C17H19F3N4O — CID 122185588

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-amino-N-pentan-3-yl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCCC(CC)NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)cnc1N
InChIInChI=1S/C17H19F3N4O/c1-3-12(4-2)23-16(25)14-15(21)22-9-13(24-14)10-6-5-7-11(8-10)17(18,19)20/h5-9,12H,3-4H2,1-2H3,(H2,21,22)(H,23,25)
InChIKeyDXOKCBXWBDJBQC-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.66
Rot. Bonds5

About 3-amino-N-pentan-3-yl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

3-amino-N-pentan-3-yl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 122185588) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 3-amino-N-pentan-3-yl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-pentan-3-yl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID122185588
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name3-amino-N-pentan-3-yl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCCC(CC)NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)cnc1N
InChIInChI=1S/C17H19F3N4O/c1-3-12(4-2)23-16(25)14-15(21)22-9-13(24-14)10-6-5-7-11(8-10)17(18,19)20/h5-9,12H,3-4H2,1-2H3,(H2,21,22)(H,23,25)
InChIKeyDXOKCBXWBDJBQC-UHFFFAOYSA-N
XLogP3.66
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-pentan-3-yl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-pentan-3-yl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 122185588) is 3-amino-N-pentan-3-yl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-pentan-3-yl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-pentan-3-yl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is CCC(CC)NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)cnc1N.
What is the InChIKey of 3-amino-N-pentan-3-yl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is DXOKCBXWBDJBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-3-12(4-2)23-16(25)14-15(21)22-9-13(24-14)10-6-5-7-11(8-10)17(18,19)20/h5-9,12H,3-4H2,1-2H3,(H2,21,22)(H,23,25).
What are the key properties of 3-amino-N-pentan-3-yl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
3-amino-N-pentan-3-yl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-pentan-3-yl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 122185588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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