6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyrazine-3-carboxamide

C13H20N4O3 — CID 63869610

IUPAC6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyrazine-3-carboxamide
SMILESO=C(NCCCOC1CCNCC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C13H20N4O3/c18-12-9-16-11(8-17-12)13(19)15-4-1-7-20-10-2-5-14-6-3-10/h8-10,14H,1-7H2,(H,15,19)(H,17,18)
InChIKeyBYHAXULPFFPGRL-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.34
Rot. Bonds6

About 6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyrazine-3-carboxamide

6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyrazine-3-carboxamide (PubChem CID 63869610) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyrazine-3-carboxamide
PubChem CID63869610
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyrazine-3-carboxamide
SMILESO=C(NCCCOC1CCNCC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C13H20N4O3/c18-12-9-16-11(8-17-12)13(19)15-4-1-7-20-10-2-5-14-6-3-10/h8-10,14H,1-7H2,(H,15,19)(H,17,18)
InChIKeyBYHAXULPFFPGRL-UHFFFAOYSA-N
XLogP-0.34
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyrazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyrazine-3-carboxamide (CID 63869610) is 6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyrazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyrazine-3-carboxamide is O=C(NCCCOC1CCNCC1)c1c[nH]c(=O)cn1.
What is the InChIKey of 6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyrazine-3-carboxamide?
The InChIKey is BYHAXULPFFPGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c18-12-9-16-11(8-17-12)13(19)15-4-1-7-20-10-2-5-14-6-3-10/h8-10,14H,1-7H2,(H,15,19)(H,17,18).
What are the key properties of 6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyrazine-3-carboxamide?
6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyrazine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 63869610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).