6-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrazine-2-carboxamide

C20H16ClF3N4O2 — CID 56929101

IUPAC6-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrazine-2-carboxamide
SMILESC[C@H](Oc1ncc(C(=O)NCc2ccccn2)nc1-c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C20H16ClF3N4O2/c1-12(20(22,23)24)30-19-17(13-5-7-14(21)8-6-13)28-16(11-27-19)18(29)26-10-15-4-2-3-9-25-15/h2-9,11-12H,10H2,1H3,(H,26,29)/t12-/m0/s1
InChIKeyGQAVOPZUZXUUBT-LBPRGKRZSA-N
MW436.82 g/mol
LogP4.45
Rot. Bonds6

About 6-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrazine-2-carboxamide

6-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrazine-2-carboxamide (PubChem CID 56929101) has the molecular formula C20H16ClF3N4O2 and a molecular weight of 436.82 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrazine-2-carboxamide
PubChem CID56929101
Molecular FormulaC20H16ClF3N4O2
Molecular Weight436.82 g/mol
Exact Mass436.09
IUPAC Name6-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrazine-2-carboxamide
SMILESC[C@H](Oc1ncc(C(=O)NCc2ccccn2)nc1-c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C20H16ClF3N4O2/c1-12(20(22,23)24)30-19-17(13-5-7-14(21)8-6-13)28-16(11-27-19)18(29)26-10-15-4-2-3-9-25-15/h2-9,11-12H,10H2,1H3,(H,26,29)/t12-/m0/s1
InChIKeyGQAVOPZUZXUUBT-LBPRGKRZSA-N
XLogP4.45
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.82
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrazine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrazine-2-carboxamide (CID 56929101) is 6-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrazine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrazine-2-carboxamide is C[C@H](Oc1ncc(C(=O)NCc2ccccn2)nc1-c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 6-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrazine-2-carboxamide?
The InChIKey is GQAVOPZUZXUUBT-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H16ClF3N4O2/c1-12(20(22,23)24)30-19-17(13-5-7-14(21)8-6-13)28-16(11-27-19)18(29)26-10-15-4-2-3-9-25-15/h2-9,11-12H,10H2,1H3,(H,26,29)/t12-/m0/s1.
What are the key properties of 6-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrazine-2-carboxamide?
6-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrazine-2-carboxamide has a molecular weight of 436.82 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrazine-2-carboxamide is sourced from PubChem (CID 56929101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).