5-methyl-N-(4-piperidin-1-ylphenyl)pyrazine-2-carboxamide

C17H20N4O — CID 2379402

IUPAC5-methyl-N-(4-piperidin-1-ylphenyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(N3CCCCC3)cc2)cn1
InChIInChI=1S/C17H20N4O/c1-13-11-19-16(12-18-13)17(22)20-14-5-7-15(8-6-14)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,22)
InChIKeyZUHHNCWSURKLLB-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.03
Rot. Bonds3

About 5-methyl-N-(4-piperidin-1-ylphenyl)pyrazine-2-carboxamide

5-methyl-N-(4-piperidin-1-ylphenyl)pyrazine-2-carboxamide (PubChem CID 2379402) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-methyl-N-(4-piperidin-1-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-piperidin-1-ylphenyl)pyrazine-2-carboxamide
PubChem CID2379402
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name5-methyl-N-(4-piperidin-1-ylphenyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(N3CCCCC3)cc2)cn1
InChIInChI=1S/C17H20N4O/c1-13-11-19-16(12-18-13)17(22)20-14-5-7-15(8-6-14)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,22)
InChIKeyZUHHNCWSURKLLB-UHFFFAOYSA-N
XLogP3.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-2-pyrazinecarboxamide
CID 803568
BG-45
CID 16773791
N-(2,5-dimethylphenyl)-2-pyrazinecarboxamide
CID 803312
N-(4-methylphenyl)pyrazine-2-carboxamide
CID 746705
N-(4-morpholin-4-ylphenyl)pyrazine-2-carboxamide
CID 7409168
N-pyridin-3-ylquinoxaline-2-carboxamide
CID 3237194
N-(3-chlorophenyl)pyrazine-2-carboxamide
CID 470912
N-(3-methylphenyl)pyrazine-2-carboxamide
CID 743190
N-(3-nitrophenyl)pyrazine-2-carboxamide
CID 746708
N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 2408490
N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
CID 835705
N-(4-fluoro-2-methylphenyl)pyrazine-2-carboxamide
CID 1245514

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-piperidin-1-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-(4-piperidin-1-ylphenyl)pyrazine-2-carboxamide (CID 2379402) is 5-methyl-N-(4-piperidin-1-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-piperidin-1-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(4-piperidin-1-ylphenyl)pyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(N3CCCCC3)cc2)cn1.
What is the InChIKey of 5-methyl-N-(4-piperidin-1-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is ZUHHNCWSURKLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13-11-19-16(12-18-13)17(22)20-14-5-7-15(8-6-14)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,22).
What are the key properties of 5-methyl-N-(4-piperidin-1-ylphenyl)pyrazine-2-carboxamide?
5-methyl-N-(4-piperidin-1-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-piperidin-1-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 2379402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).