N-(5-chloro-2-pyridinyl)-1-(5-cyanopyrazin-2-yl)piperidine-3-carboxamide

C16H15ClN6O — CID 133291293

IUPACN-(5-chloro-2-pyridinyl)-1-(5-cyanopyrazin-2-yl)piperidine-3-carboxamide
SMILESN#Cc1cnc(N2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)cn1
InChIInChI=1S/C16H15ClN6O/c17-12-3-4-14(20-7-12)22-16(24)11-2-1-5-23(10-11)15-9-19-13(6-18)8-21-15/h3-4,7-9,11H,1-2,5,10H2,(H,20,22,24)
InChIKeyJSKUEYPAEHCAOL-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.25
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-1-(5-cyanopyrazin-2-yl)piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-(5-cyanopyrazin-2-yl)piperidine-3-carboxamide (PubChem CID 133291293) has the molecular formula C16H15ClN6O and a molecular weight of 342.79 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-(5-cyanopyrazin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-(5-cyanopyrazin-2-yl)piperidine-3-carboxamide
PubChem CID133291293
Molecular FormulaC16H15ClN6O
Molecular Weight342.79 g/mol
Exact Mass342.10
IUPAC NameN-(5-chloro-2-pyridinyl)-1-(5-cyanopyrazin-2-yl)piperidine-3-carboxamide
SMILESN#Cc1cnc(N2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)cn1
InChIInChI=1S/C16H15ClN6O/c17-12-3-4-14(20-7-12)22-16(24)11-2-1-5-23(10-11)15-9-19-13(6-18)8-21-15/h3-4,7-9,11H,1-2,5,10H2,(H,20,22,24)
InChIKeyJSKUEYPAEHCAOL-UHFFFAOYSA-N
XLogP2.25
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-(5-cyanopyrazin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-(5-cyanopyrazin-2-yl)piperidine-3-carboxamide (CID 133291293) is N-(5-chloro-2-pyridinyl)-1-(5-cyanopyrazin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-(5-cyanopyrazin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-(5-cyanopyrazin-2-yl)piperidine-3-carboxamide is N#Cc1cnc(N2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-(5-cyanopyrazin-2-yl)piperidine-3-carboxamide?
The InChIKey is JSKUEYPAEHCAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O/c17-12-3-4-14(20-7-12)22-16(24)11-2-1-5-23(10-11)15-9-19-13(6-18)8-21-15/h3-4,7-9,11H,1-2,5,10H2,(H,20,22,24).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-(5-cyanopyrazin-2-yl)piperidine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-(5-cyanopyrazin-2-yl)piperidine-3-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-(5-cyanopyrazin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 133291293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).