N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide

C23H25N5O — CID 109285561

IUPACN-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cnc(N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C23H25N5O/c1-17-7-6-8-18(2)22(17)26-23(29)20-15-25-21(16-24-20)28-13-11-27(12-14-28)19-9-4-3-5-10-19/h3-10,15-16H,11-14H2,1-2H3,(H,26,29)
InChIKeyIGMMIWFTQIYOBU-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.67
Rot. Bonds4

About N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide

N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide (PubChem CID 109285561) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
PubChem CID109285561
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cnc(N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C23H25N5O/c1-17-7-6-8-18(2)22(17)26-23(29)20-15-25-21(16-24-20)28-13-11-27(12-14-28)19-9-4-3-5-10-19/h3-10,15-16H,11-14H2,1-2H3,(H,26,29)
InChIKeyIGMMIWFTQIYOBU-UHFFFAOYSA-N
XLogP3.67
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109285572
5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109187407
N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273787
5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide
CID 109271995
N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193453
N-(2,6-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274621
N-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109279005
N-tert-butyl-5-[4-(3-chlorophenyl)piperazin-1-yl]pyrazine-2-carboxamide
CID 109286468
[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273545
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109278105
N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159582
N-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159593

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide (CID 109285561) is N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide is Cc1cccc(C)c1NC(=O)c1cnc(N2CCN(c3ccccc3)CC2)cn1.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide?
The InChIKey is IGMMIWFTQIYOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-7-6-8-18(2)22(17)26-23(29)20-15-25-21(16-24-20)28-13-11-27(12-14-28)19-9-4-3-5-10-19/h3-10,15-16H,11-14H2,1-2H3,(H,26,29).
What are the key properties of N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide?
N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109285561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).