N-[(3R,4R)-1-(1,3-benzoxazol-2-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide

C17H17N5O3 — CID 70773928

IUPACN-[(3R,4R)-1-(1,3-benzoxazol-2-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CCN(c2nc3ccccc3o2)C[C@H]1O)c1cnccn1
InChIInChI=1S/C17H17N5O3/c23-14-10-22(17-21-12-3-1-2-4-15(12)25-17)8-5-11(14)20-16(24)13-9-18-6-7-19-13/h1-4,6-7,9,11,14,23H,5,8,10H2,(H,20,24)/t11-,14-/m1/s1
InChIKeyJQCWJPKFEJKBJH-BXUZGUMPSA-N
MW339.36 g/mol
LogP0.99
Rot. Bonds3

About N-[(3R,4R)-1-(1,3-benzoxazol-2-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide

N-[(3R,4R)-1-(1,3-benzoxazol-2-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 70773928) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[(3R,4R)-1-(1,3-benzoxazol-2-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-(1,3-benzoxazol-2-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
PubChem CID70773928
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-[(3R,4R)-1-(1,3-benzoxazol-2-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CCN(c2nc3ccccc3o2)C[C@H]1O)c1cnccn1
InChIInChI=1S/C17H17N5O3/c23-14-10-22(17-21-12-3-1-2-4-15(12)25-17)8-5-11(14)20-16(24)13-9-18-6-7-19-13/h1-4,6-7,9,11,14,23H,5,8,10H2,(H,20,24)/t11-,14-/m1/s1
InChIKeyJQCWJPKFEJKBJH-BXUZGUMPSA-N
XLogP0.99
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-(1,3-benzoxazol-2-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-1-(1,3-benzoxazol-2-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide (CID 70773928) is N-[(3R,4R)-1-(1,3-benzoxazol-2-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-(1,3-benzoxazol-2-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-(1,3-benzoxazol-2-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide is O=C(N[C@@H]1CCN(c2nc3ccccc3o2)C[C@H]1O)c1cnccn1.
What is the InChIKey of N-[(3R,4R)-1-(1,3-benzoxazol-2-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is JQCWJPKFEJKBJH-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-14-10-22(17-21-12-3-1-2-4-15(12)25-17)8-5-11(14)20-16(24)13-9-18-6-7-19-13/h1-4,6-7,9,11,14,23H,5,8,10H2,(H,20,24)/t11-,14-/m1/s1.
What are the key properties of N-[(3R,4R)-1-(1,3-benzoxazol-2-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide?
N-[(3R,4R)-1-(1,3-benzoxazol-2-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-(1,3-benzoxazol-2-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 70773928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).