5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide

C20H26N4O — CID 109289329

IUPAC5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cnc(N3CCCCCC3)cn2)cc1
InChIInChI=1S/C20H26N4O/c1-15(2)16-7-9-17(10-8-16)23-20(25)18-13-22-19(14-21-18)24-11-5-3-4-6-12-24/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,23,25)
InChIKeyRHBWVIVZUCDZDE-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.23
Rot. Bonds4

About 5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide

5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide (PubChem CID 109289329) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
PubChem CID109289329
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cnc(N3CCCCCC3)cn2)cc1
InChIInChI=1S/C20H26N4O/c1-15(2)16-7-9-17(10-8-16)23-20(25)18-13-22-19(14-21-18)24-11-5-3-4-6-12-24/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,23,25)
InChIKeyRHBWVIVZUCDZDE-UHFFFAOYSA-N
XLogP4.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109289339
5-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
CID 109289373
ethyl 4-[5-[(4-propan-2-ylphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 109286341
N-(3,5-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274620
5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289360
N-(2,6-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274621
5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109279241
5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280802
N-[4-(azepan-1-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 51197527
methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate
CID 109274586
5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109292034
N-(3-methylbutyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274517

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide (CID 109289329) is 5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide is CC(C)c1ccc(NC(=O)c2cnc(N3CCCCCC3)cn2)cc1.
What is the InChIKey of 5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is RHBWVIVZUCDZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15(2)16-7-9-17(10-8-16)23-20(25)18-13-22-19(14-21-18)24-11-5-3-4-6-12-24/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,23,25).
What are the key properties of 5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109289329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).