N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide

C20H19ClN6O — CID 109286633

IUPACN-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnc(N2CCN(c3ccccn3)CC2)cn1
InChIInChI=1S/C20H19ClN6O/c21-15-4-3-5-16(12-15)25-20(28)17-13-24-19(14-23-17)27-10-8-26(9-11-27)18-6-1-2-7-22-18/h1-7,12-14H,8-11H2,(H,25,28)
InChIKeyLQFXABDMSDWUCO-UHFFFAOYSA-N
MW394.87 g/mol
LogP3.10
Rot. Bonds4

About N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide

N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide (PubChem CID 109286633) has the molecular formula C20H19ClN6O and a molecular weight of 394.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
PubChem CID109286633
Molecular FormulaC20H19ClN6O
Molecular Weight394.87 g/mol
Exact Mass394.13
IUPAC NameN-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnc(N2CCN(c3ccccn3)CC2)cn1
InChIInChI=1S/C20H19ClN6O/c21-15-4-3-5-16(12-15)25-20(28)17-13-24-19(14-23-17)27-10-8-26(9-11-27)18-6-1-2-7-22-18/h1-7,12-14H,8-11H2,(H,25,28)
InChIKeyLQFXABDMSDWUCO-UHFFFAOYSA-N
XLogP3.10
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286617
N-(3,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286623
N-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286642
N-(3-chlorophenyl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 44760722
N-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286726
N-(3-chlorophenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
CID 5072686
2-(3-chloroanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109004774
N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278366
N-(3,5-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274620
6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109155130
N-(3-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109285572
[2-(3-chloroanilino)pyrimidin-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109262201

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide (CID 109286633) is N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide is O=C(Nc1cccc(Cl)c1)c1cnc(N2CCN(c3ccccn3)CC2)cn1.
What is the InChIKey of N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide?
The InChIKey is LQFXABDMSDWUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O/c21-15-4-3-5-16(12-15)25-20(28)17-13-24-19(14-23-17)27-10-8-26(9-11-27)18-6-1-2-7-22-18/h1-7,12-14H,8-11H2,(H,25,28).
What are the key properties of N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide?
N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide has a molecular weight of 394.87 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109286633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).