N-[(3R,4R)-3-hydroxy-1-isoquinolin-1-ylpiperidin-4-yl]pyrazine-2-carboxamide

C19H19N5O2 — CID 70759031

IUPACN-[(3R,4R)-3-hydroxy-1-isoquinolin-1-ylpiperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CCN(c2nccc3ccccc23)C[C@H]1O)c1cnccn1
InChIInChI=1S/C19H19N5O2/c25-17-12-24(18-14-4-2-1-3-13(14)5-7-22-18)10-6-15(17)23-19(26)16-11-20-8-9-21-16/h1-5,7-9,11,15,17,25H,6,10,12H2,(H,23,26)/t15-,17-/m1/s1
InChIKeyHADHYBBALMJSCV-NVXWUHKLSA-N
MW349.39 g/mol
LogP1.39
Rot. Bonds3

About N-[(3R,4R)-3-hydroxy-1-isoquinolin-1-ylpiperidin-4-yl]pyrazine-2-carboxamide

N-[(3R,4R)-3-hydroxy-1-isoquinolin-1-ylpiperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 70759031) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-isoquinolin-1-ylpiperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-isoquinolin-1-ylpiperidin-4-yl]pyrazine-2-carboxamide
PubChem CID70759031
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[(3R,4R)-3-hydroxy-1-isoquinolin-1-ylpiperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CCN(c2nccc3ccccc23)C[C@H]1O)c1cnccn1
InChIInChI=1S/C19H19N5O2/c25-17-12-24(18-14-4-2-1-3-13(14)5-7-22-18)10-6-15(17)23-19(26)16-11-20-8-9-21-16/h1-5,7-9,11,15,17,25H,6,10,12H2,(H,23,26)/t15-,17-/m1/s1
InChIKeyHADHYBBALMJSCV-NVXWUHKLSA-N
XLogP1.39
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-isoquinolin-1-ylpiperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-isoquinolin-1-ylpiperidin-4-yl]pyrazine-2-carboxamide (CID 70759031) is N-[(3R,4R)-3-hydroxy-1-isoquinolin-1-ylpiperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-isoquinolin-1-ylpiperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-isoquinolin-1-ylpiperidin-4-yl]pyrazine-2-carboxamide is O=C(N[C@@H]1CCN(c2nccc3ccccc23)C[C@H]1O)c1cnccn1.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-isoquinolin-1-ylpiperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is HADHYBBALMJSCV-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-17-12-24(18-14-4-2-1-3-13(14)5-7-22-18)10-6-15(17)23-19(26)16-11-20-8-9-21-16/h1-5,7-9,11,15,17,25H,6,10,12H2,(H,23,26)/t15-,17-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-isoquinolin-1-ylpiperidin-4-yl]pyrazine-2-carboxamide?
N-[(3R,4R)-3-hydroxy-1-isoquinolin-1-ylpiperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-isoquinolin-1-ylpiperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 70759031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).