6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide

C13H17ClN4O2 — CID 103187315

IUPAC6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
SMILESO=C(NCCC(=O)N1CCCCC1)c1cncc(Cl)n1
InChIInChI=1S/C13H17ClN4O2/c14-11-9-15-8-10(17-11)13(20)16-5-4-12(19)18-6-2-1-3-7-18/h8-9H,1-7H2,(H,16,20)
InChIKeyVQDUHBYUAXSYGL-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.26
Rot. Bonds4

About 6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide

6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide (PubChem CID 103187315) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
PubChem CID103187315
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
SMILESO=C(NCCC(=O)N1CCCCC1)c1cncc(Cl)n1
InChIInChI=1S/C13H17ClN4O2/c14-11-9-15-8-10(17-11)13(20)16-5-4-12(19)18-6-2-1-3-7-18/h8-9H,1-7H2,(H,16,20)
InChIKeyVQDUHBYUAXSYGL-UHFFFAOYSA-N
XLogP1.26
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
CID 46597760
5-hydroxy-N-(3-oxo-3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 115620341
2-(2-aminoethyl)-N-[3-(azepan-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 120629089
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide
CID 55924272
4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide
CID 55802990
N-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propyl]pyrazine-2-carboxamide
CID 47074281
6-chloro-N-(2-sulfamoylethyl)pyrazine-2-carboxamide
CID 103187109
2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157050
2-(2-aminoethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66388742
6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 106551138
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide (CID 103187315) is 6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide is O=C(NCCC(=O)N1CCCCC1)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide?
The InChIKey is VQDUHBYUAXSYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c14-11-9-15-8-10(17-11)13(20)16-5-4-12(19)18-6-2-1-3-7-18/h8-9H,1-7H2,(H,16,20).
What are the key properties of 6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide?
6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide has a molecular weight of 296.76 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 103187315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).