5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide

C17H23N5OS — CID 47007671

IUPAC5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC(c2cccs2)N2CCN(C)CC2)cn1
InChIInChI=1S/C17H23N5OS/c1-13-10-19-14(11-18-13)17(23)20-12-15(16-4-3-9-24-16)22-7-5-21(2)6-8-22/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,20,23)
InChIKeyVMYMCLGCTUNHPN-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.57
Rot. Bonds5

About 5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide

5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide (PubChem CID 47007671) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide
PubChem CID47007671
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC(c2cccs2)N2CCN(C)CC2)cn1
InChIInChI=1S/C17H23N5OS/c1-13-10-19-14(11-18-13)17(23)20-12-15(16-4-3-9-24-16)22-7-5-21(2)6-8-22/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,20,23)
InChIKeyVMYMCLGCTUNHPN-UHFFFAOYSA-N
XLogP1.57
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methylpyrazine-2-carboxamide
CID 30531933
6-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 30386631
5-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
CID 42951527
5-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51075751
2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 110622459
2-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 94670619
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 35582828
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methylpyrazine-2-carboxamide
CID 2453107
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 110622460
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide
CID 93159855
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide
CID 8798410
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 43006358

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide (CID 47007671) is 5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NCC(c2cccs2)N2CCN(C)CC2)cn1.
What is the InChIKey of 5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide?
The InChIKey is VMYMCLGCTUNHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-13-10-19-14(11-18-13)17(23)20-12-15(16-4-3-9-24-16)22-7-5-21(2)6-8-22/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,20,23).
What are the key properties of 5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide?
5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 47007671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).