N-[4-[(3S)-piperidin-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide

C18H19F3N4O2 — CID 67241318

IUPACN-[4-[(3S)-piperidin-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1cnc(OCC(F)(F)F)cn1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)11-27-16-10-23-15(9-24-16)17(26)25-14-5-3-12(4-6-14)13-2-1-7-22-8-13/h3-6,9-10,13,22H,1-2,7-8,11H2,(H,25,26)/t13-/m1/s1
InChIKeyRYWVQJFDHSUWOD-CYBMUJFWSA-N
MW380.37 g/mol
LogP3.14
Rot. Bonds5

About N-[4-[(3S)-piperidin-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide

N-[4-[(3S)-piperidin-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (PubChem CID 67241318) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[4-[(3S)-piperidin-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S)-piperidin-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
PubChem CID67241318
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC NameN-[4-[(3S)-piperidin-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1cnc(OCC(F)(F)F)cn1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)11-27-16-10-23-15(9-24-16)17(26)25-14-5-3-12(4-6-14)13-2-1-7-22-8-13/h3-6,9-10,13,22H,1-2,7-8,11H2,(H,25,26)/t13-/m1/s1
InChIKeyRYWVQJFDHSUWOD-CYBMUJFWSA-N
XLogP3.14
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-piperidin-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-[4-[(3S)-piperidin-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (CID 67241318) is N-[4-[(3S)-piperidin-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[(3S)-piperidin-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-[(3S)-piperidin-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1cnc(OCC(F)(F)F)cn1.
What is the InChIKey of N-[4-[(3S)-piperidin-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The InChIKey is RYWVQJFDHSUWOD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)11-27-16-10-23-15(9-24-16)17(26)25-14-5-3-12(4-6-14)13-2-1-7-22-8-13/h3-6,9-10,13,22H,1-2,7-8,11H2,(H,25,26)/t13-/m1/s1.
What are the key properties of N-[4-[(3S)-piperidin-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
N-[4-[(3S)-piperidin-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-piperidin-3-yl]phenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 67241318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).