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

C15H18N6O2 — CID 70783063

IUPACN-[(3R,4R)-3-hydroxy-1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1nccnc1N1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1
InChIInChI=1S/C15H18N6O2/c1-10-14(19-6-5-17-10)21-7-2-11(13(22)9-21)20-15(23)12-8-16-3-4-18-12/h3-6,8,11,13,22H,2,7,9H2,1H3,(H,20,23)/t11-,13-/m1/s1
InChIKeyPSFWHMCIAXIXDG-DGCLKSJQSA-N
MW314.35 g/mol
LogP-0.06
Rot. Bonds3

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

N-[(3R,4R)-3-hydroxy-1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 70783063) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID70783063
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC NameN-[(3R,4R)-3-hydroxy-1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1nccnc1N1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1
InChIInChI=1S/C15H18N6O2/c1-10-14(19-6-5-17-10)21-7-2-11(13(22)9-21)20-15(23)12-8-16-3-4-18-12/h3-6,8,11,13,22H,2,7,9H2,1H3,(H,20,23)/t11-,13-/m1/s1
InChIKeyPSFWHMCIAXIXDG-DGCLKSJQSA-N
XLogP-0.06
TPSA104.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide (CID 70783063) is N-[(3R,4R)-3-hydroxy-1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide is Cc1nccnc1N1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is PSFWHMCIAXIXDG-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-10-14(19-6-5-17-10)21-7-2-11(13(22)9-21)20-15(23)12-8-16-3-4-18-12/h3-6,8,11,13,22H,2,7,9H2,1H3,(H,20,23)/t11-,13-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide?
N-[(3R,4R)-3-hydroxy-1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 314.35 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 70783063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).