N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide

C18H23N5O — CID 109278323

IUPACN-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cnc(N3CCN(C)CC3)cn2)c1
InChIInChI=1S/C18H23N5O/c1-13-8-14(2)10-15(9-13)21-18(24)16-11-20-17(12-19-16)23-6-4-22(3)5-7-23/h8-12H,4-7H2,1-3H3,(H,21,24)
InChIKeyNGKLEIBTTSDIIW-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.10
Rot. Bonds3

About N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide

N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide (PubChem CID 109278323) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
PubChem CID109278323
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cnc(N3CCN(C)CC3)cn2)c1
InChIInChI=1S/C18H23N5O/c1-13-8-14(2)10-15(9-13)21-18(24)16-11-20-17(12-19-16)23-6-4-22(3)5-7-23/h8-12H,4-7H2,1-3H3,(H,21,24)
InChIKeyNGKLEIBTTSDIIW-UHFFFAOYSA-N
XLogP2.10
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278366
N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278327
5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 30548234
N-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278402
N-(5-chloro-2-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278343
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278398
5-(4-acetylpiperazin-1-yl)-N-(3,5-dichlorophenyl)pyrazine-2-carboxamide
CID 109279284
N-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278299
N-(3-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286617
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
N-(3,5-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274620
N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109272354

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide (CID 109278323) is N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide is Cc1cc(C)cc(NC(=O)c2cnc(N3CCN(C)CC3)cn2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The InChIKey is NGKLEIBTTSDIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-8-14(2)10-15(9-13)21-18(24)16-11-20-17(12-19-16)23-6-4-22(3)5-7-23/h8-12H,4-7H2,1-3H3,(H,21,24).
What are the key properties of N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109278323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).