5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrazine-2-carboxamide

C17H20F3N7O2 — CID 71572060

IUPAC5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrazine-2-carboxamide
SMILESCC(C)C[C@@H](Nc1cnc(C(N)=O)c(Nc2ccc(C(F)(F)F)nc2)n1)C(N)=O
InChIInChI=1S/C17H20F3N7O2/c1-8(2)5-10(14(21)28)26-12-7-24-13(15(22)29)16(27-12)25-9-3-4-11(23-6-9)17(18,19)20/h3-4,6-8,10H,5H2,1-2H3,(H2,21,28)(H2,22,29)(H2,25,26,27)/t10-/m1/s1
InChIKeyIGBLLJXQYOFDTR-SNVBAGLBSA-N
MW411.39 g/mol
LogP2.04
Rot. Bonds8

About 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrazine-2-carboxamide

5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrazine-2-carboxamide (PubChem CID 71572060) has the molecular formula C17H20F3N7O2 and a molecular weight of 411.39 g/mol. Its IUPAC name is 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrazine-2-carboxamide
PubChem CID71572060
Molecular FormulaC17H20F3N7O2
Molecular Weight411.39 g/mol
Exact Mass411.16
IUPAC Name5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrazine-2-carboxamide
SMILESCC(C)C[C@@H](Nc1cnc(C(N)=O)c(Nc2ccc(C(F)(F)F)nc2)n1)C(N)=O
InChIInChI=1S/C17H20F3N7O2/c1-8(2)5-10(14(21)28)26-12-7-24-13(15(22)29)16(27-12)25-9-3-4-11(23-6-9)17(18,19)20/h3-4,6-8,10H,5H2,1-2H3,(H2,21,28)(H2,22,29)(H2,25,26,27)/t10-/m1/s1
InChIKeyIGBLLJXQYOFDTR-SNVBAGLBSA-N
XLogP2.04
TPSA148.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrazine-2-carboxamide?
The IUPAC name of 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrazine-2-carboxamide (CID 71572060) is 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrazine-2-carboxamide is CC(C)C[C@@H](Nc1cnc(C(N)=O)c(Nc2ccc(C(F)(F)F)nc2)n1)C(N)=O.
What is the InChIKey of 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrazine-2-carboxamide?
The InChIKey is IGBLLJXQYOFDTR-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H20F3N7O2/c1-8(2)5-10(14(21)28)26-12-7-24-13(15(22)29)16(27-12)25-9-3-4-11(23-6-9)17(18,19)20/h3-4,6-8,10H,5H2,1-2H3,(H2,21,28)(H2,22,29)(H2,25,26,27)/t10-/m1/s1.
What are the key properties of 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrazine-2-carboxamide?
5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrazine-2-carboxamide has a molecular weight of 411.39 g/mol, XLogP of 2.04, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrazine-2-carboxamide is sourced from PubChem (CID 71572060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).