5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide

C18H21N5O3 — CID 109278979

IUPAC5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc(N2CCN(C=O)CC2)cn1
InChIInChI=1S/C18H21N5O3/c1-13-3-4-16(26-2)14(9-13)21-18(25)15-10-20-17(11-19-15)23-7-5-22(12-24)6-8-23/h3-4,9-12H,5-8H2,1-2H3,(H,21,25)
InChIKeyYMXZFGKYJPTNKK-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.32
Rot. Bonds5

About 5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide

5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109278979) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
PubChem CID109278979
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc(N2CCN(C=O)CC2)cn1
InChIInChI=1S/C18H21N5O3/c1-13-3-4-16(26-2)14(9-13)21-18(25)15-10-20-17(11-19-15)23-7-5-22(12-24)6-8-23/h3-4,9-12H,5-8H2,1-2H3,(H,21,25)
InChIKeyYMXZFGKYJPTNKK-UHFFFAOYSA-N
XLogP1.32
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(4-ethylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109278676
6-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109345656
N-(2,4-dimethylphenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278943
N-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276688
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109278980
N-(2-methoxyphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273814
5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 103817028
5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109289350
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109278953
5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109289319
N-(5-chloro-2-methoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254548
N-(5-chloro-2-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxamide
CID 109284191

Frequently Asked Questions

What is the IUPAC name of 5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide (CID 109278979) is 5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide is COc1ccc(C)cc1NC(=O)c1cnc(N2CCN(C=O)CC2)cn1.
What is the InChIKey of 5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is YMXZFGKYJPTNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-13-3-4-16(26-2)14(9-13)21-18(25)15-10-20-17(11-19-15)23-7-5-22(12-24)6-8-23/h3-4,9-12H,5-8H2,1-2H3,(H,21,25).
What are the key properties of 5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide?
5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109278979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).