N-[(3R,4R)-1-(5-acetyl-2-pyridinyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide

C17H19N5O3 — CID 70748557

IUPACN-[(3R,4R)-1-(5-acetyl-2-pyridinyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
SMILESCC(=O)c1ccc(N2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)nc1
InChIInChI=1S/C17H19N5O3/c1-11(23)12-2-3-16(20-8-12)22-7-4-13(15(24)10-22)21-17(25)14-9-18-5-6-19-14/h2-3,5-6,8-9,13,15,24H,4,7,10H2,1H3,(H,21,25)/t13-,15-/m1/s1
InChIKeyQFQIZTWNVAUWHE-UKRRQHHQSA-N
MW341.37 g/mol
LogP0.44
Rot. Bonds4

About N-[(3R,4R)-1-(5-acetyl-2-pyridinyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide

N-[(3R,4R)-1-(5-acetyl-2-pyridinyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 70748557) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[(3R,4R)-1-(5-acetyl-2-pyridinyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-(5-acetyl-2-pyridinyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
PubChem CID70748557
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-[(3R,4R)-1-(5-acetyl-2-pyridinyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
SMILESCC(=O)c1ccc(N2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)nc1
InChIInChI=1S/C17H19N5O3/c1-11(23)12-2-3-16(20-8-12)22-7-4-13(15(24)10-22)21-17(25)14-9-18-5-6-19-14/h2-3,5-6,8-9,13,15,24H,4,7,10H2,1H3,(H,21,25)/t13-,15-/m1/s1
InChIKeyQFQIZTWNVAUWHE-UKRRQHHQSA-N
XLogP0.44
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.44
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-(5-acetyl-2-pyridinyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-1-(5-acetyl-2-pyridinyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide (CID 70748557) is N-[(3R,4R)-1-(5-acetyl-2-pyridinyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-(5-acetyl-2-pyridinyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-(5-acetyl-2-pyridinyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide is CC(=O)c1ccc(N2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)nc1.
What is the InChIKey of N-[(3R,4R)-1-(5-acetyl-2-pyridinyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is QFQIZTWNVAUWHE-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-11(23)12-2-3-16(20-8-12)22-7-4-13(15(24)10-22)21-17(25)14-9-18-5-6-19-14/h2-3,5-6,8-9,13,15,24H,4,7,10H2,1H3,(H,21,25)/t13-,15-/m1/s1.
What are the key properties of N-[(3R,4R)-1-(5-acetyl-2-pyridinyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide?
N-[(3R,4R)-1-(5-acetyl-2-pyridinyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-(5-acetyl-2-pyridinyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 70748557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).